data_1j5i_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 1j5i _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' PRO . . . . . 0.407 ' O ' ' OG1' ' A' ' 4' ' ' THR . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 111.047 -0.405 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 1.3 p 60.75 -148.05 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.462 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -75.2 118.52 18.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.1 p -145.22 145.57 31.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.479 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.498 ' CG1' HG23 ' A' ' 19' ' ' VAL . 2.1 t -75.12 142.62 14.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.529 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -49.02 -58.18 9.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.37 1.044 . . . . 0.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.529 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 17.8 Cg_endo -75.0 -160.85 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.76 -46.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.386 1.054 . . . . 0.0 109.937 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.7 p -70.19 59.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.606 1.191 . . . . 0.0 110.049 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -50.48 -19.02 2.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.579 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -69.93 60.32 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.497 0.763 . . . . 0.0 109.24 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -130.03 126.57 38.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.087 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 14' ' ' SER . 1.4 m-20 -36.01 94.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 41.84 67.62 0.81 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.462 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -76.24 127.62 33.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.402 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.446 HG21 ' CG2' ' A' ' 68' ' ' THR . 1.3 t -98.25 123.19 50.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.498 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.2 OUTLIER -150.9 -172.49 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -111.59 137.72 49.07 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 6' ' ' THR . 76.0 t -113.66 108.71 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.412 1.07 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.05 131.49 35.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -114.59 92.95 0.62 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.521 1.138 . . . . 0.0 111.083 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.81 124.65 35.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.71 21.24 79.57 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.473 ' CD2' HD22 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -85.25 -142.64 0.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.357 0.681 . . . . 0.0 109.238 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.685 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 1.1 mm100 -54.69 89.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.24 84.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 79.69 0.9 85.97 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.523 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -89.17 -175.06 4.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 0.783 . . . . 0.0 110.34 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.614 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -146.51 149.26 33.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.685 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.4 m-30 -150.44 -167.33 2.79 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.441 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 72.8 m-20 -109.61 109.57 20.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.334 1.021 . . . . 0.0 109.382 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.431 HG22 ' CG2' ' A' ' 65' ' ' THR . 1.2 t -78.37 140.74 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.601 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 173.01 160.68 22.04 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.95 101.08 13.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 0.0 110.376 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 4.8 t -106.97 150.3 26.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 108.353 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.512 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 177.37 168.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.362 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 45' ' ' LEU . 1.3 m95 -68.26 111.01 4.31 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.601 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -94.71 -46.1 13.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.605 ' OD2' ' CZ3' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -87.15 -162.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 m -64.86 76.27 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.344 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 72.36 14.25 77.06 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.454 1.096 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.461 HG12 ' CG ' ' A' ' 77' ' ' LEU . 27.0 t -90.05 116.34 31.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.569 0.806 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 3.6 tp -64.12 105.47 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.23 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.512 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -123.03 136.47 54.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.363 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 26.6 m -97.88 156.58 16.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.599 1.187 . . . . 0.0 108.229 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.511 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.9 OUTLIER -79.84 162.64 61.75 Favored Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 124.419 1.074 . . . . 0.0 109.359 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.519 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 17.9 Cg_endo -75.11 -12.97 21.31 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.403 1.738 . . . . 0.0 110.951 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.26 14.24 25.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.601 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.47 10.86 16.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.519 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -106.61 91.85 3.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 111.003 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 54' ' ' SER . 28.8 t -150.52 91.47 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 110.08 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 53' ' ' SER . 25.4 p -33.17 148.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.055 . . . . 0.0 110.072 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.497 HG21 ' CG2' ' A' ' 65' ' ' THR . 0.3 OUTLIER -147.48 155.36 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.506 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -151.57 129.32 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 110.403 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -101.66 139.84 36.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.578 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -62.3 159.5 15.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.402 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.22 -29.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.437 ' N ' ' C ' ' A' ' 58' ' ' ASP . 13.0 t-20 -88.75 34.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.19 45.46 5.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.4 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -109.15 97.74 7.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.593 0.819 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.497 ' CB ' ' HB3' ' A' ' 57' ' ' ALA . . . -106.14 84.11 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.7 m -93.25 80.58 4.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.898 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.497 ' CG2' HG21 ' A' ' 55' ' ' VAL . 15.1 t -107.05 138.65 42.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.585 1.178 . . . . 0.0 110.459 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.87 137.43 46.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.423 1.077 . . . . 0.0 110.135 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.81 177.81 11.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.446 ' CG2' HG21 ' A' ' 18' ' ' VAL . 95.4 m -106.68 135.73 47.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.156 . . . . 0.0 110.361 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.453 ' CG1' HG21 ' A' ' 17' ' ' THR . 12.3 p -87.57 87.72 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -87.76 78.19 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.474 ' HD3' ' CA ' ' A' ' 89' ' ' THR . 6.2 ttm180 -52.42 -33.24 42.99 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 2.5 p -93.41 134.08 36.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.59 1.181 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.517 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 162.26 177.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.468 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 27.0 tt0 -89.26 111.61 22.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.9 160.74 35.66 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.554 1.159 . . . . 0.0 111.044 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.498 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -138.23 128.27 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.0 111.02 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -62.95 145.79 54.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.636 1.21 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 45' ' ' LEU . 3.4 p90 -76.04 -18.12 59.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.27 -48.17 82.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.386 1.054 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.6 -24.94 0.31 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.059 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 89.0 m -88.67 158.57 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 110.329 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -108.04 145.69 33.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.16 . . . . 0.0 110.426 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.605 ' CZ3' ' OD2' ' A' ' 41' ' ' ASP . 73.7 t-105 -105.56 -91.22 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 108.033 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.468 ' HA2' ' CG ' ' A' ' 74' ' ' GLU . . . 138.99 -68.82 0.49 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.623 1.202 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.518 ' O ' ' CB ' ' A' ' 86' ' ' VAL . 1.2 m 67.04 -61.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.359 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.518 ' CB ' ' O ' ' A' ' 85' ' ' THR . 2.9 t 86.83 -35.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.88 107.17 5.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.245 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 15.1 t -89.74 57.88 4.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 108.278 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.474 ' CA ' ' HD3' ' A' ' 71' ' ' ARG . 8.8 t -100.81 -13.34 18.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.7 m -88.48 -57.55 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -89.9 124.59 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.31 120.02 7.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.595 1.185 . . . . 0.0 109.292 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.99 126.52 35.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 108.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 25.3 mt-30 -97.32 116.33 29.33 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.467 HG21 ' CG2' ' A' ' 110' ' ' ILE . 3.4 t -87.82 110.22 20.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 109.234 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.52 -177.45 37.17 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.566 1.166 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.497 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -106.57 155.68 19.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.582 0.813 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -104.33 148.32 26.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.634 1.209 . . . . 0.0 109.885 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.748 ' HD2' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -94.54 159.23 15.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 1.178 . . . . 0.0 109.214 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.65 14.82 10.73 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.546 1.154 . . . . 0.0 109.238 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.34 -30.46 12.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.18 40.93 1.59 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.407 1.067 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.8 160.3 39.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 109.262 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -129.52 66.72 0.57 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.748 ' HD3' ' HD2' ' A' ' 99' ' ' ASP . 18.1 Cg_endo -75.06 -37.69 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.494 1.786 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.462 ' CB ' HD23 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -89.23 147.79 23.96 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 143.44 110.25 0.74 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.356 1.035 . . . . 0.0 111.047 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.1 p -100.56 118.74 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.598 0.822 . . . . 0.0 109.292 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.03 87.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.422 1.077 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.529 ' O ' ' CB ' ' A' ' 111' ' ' SER . 3.0 tp -86.29 153.44 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.544 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.601 1.188 . . . . 0.0 109.925 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.422 ' C ' ' CG2' ' A' ' 4' ' ' THR . 18.6 Cg_endo . . . . . 0 N--CA 1.455 -0.775 0 N-CA-C 110.941 -0.446 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 1.2 p 63.34 -146.63 0.34 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.499 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -77.54 109.92 11.9 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.474 1.109 . . . . 0.0 109.43 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -146.07 148.67 32.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.522 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -81.39 139.96 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.488 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -38.83 -56.17 2.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.381 1.051 . . . . 0.0 110.39 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.522 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.95 -159.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.448 1.762 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.14 -58.31 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.22 168.84 17.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.936 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.66 31.4 58.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.569 1.168 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.501 ' CD1' HG23 ' A' ' 110' ' ' ILE . 76.9 mt -88.83 165.66 14.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 0.774 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.8 t -127.78 153.04 47.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.09 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.28 83.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.342 1.027 . . . . 0.0 109.35 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 126.7 33.71 0.64 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.406 1.066 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.401 HG22 HD21 ' A' ' 13' ' ' LEU . 97.6 m -86.61 103.22 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.62 0.835 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.52 123.78 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.228 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.489 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -149.28 -177.76 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -103.49 134.75 46.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.364 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.6 t -114.66 103.02 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -87.93 134.26 33.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.13 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.446 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -120.14 66.38 0.42 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.442 1.088 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.85 118.22 17.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 72.84 41.76 48.2 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.483 HD13 ' N ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -104.93 -95.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.587 ' OE1' ' CD1' ' A' ' 32' ' ' TYR . 6.3 mm-40 -61.26 -13.48 19.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.401 1.063 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 68.61 8.48 6.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 118.58 -0.05 15.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.093 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.421 ' HB ' ' OE1' ' A' ' 27' ' ' GLN . 3.0 m -80.43 -157.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.482 0.754 . . . . 0.0 110.46 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.583 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -140.89 114.84 9.08 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.565 1.165 . . . . 0.0 109.29 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.592 ' CE1' ' HA ' ' A' ' 99' ' ' ASP . 1.1 m-30 -123.24 -175.12 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.6 m-20 -102.74 127.45 49.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 0.0 109.301 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.483 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -90.53 131.72 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.595 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . -179.37 149.99 9.09 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.642 1.214 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -93.64 109.56 21.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.623 0.837 . . . . 0.0 110.38 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -108.08 151.73 25.48 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.501 1.126 . . . . 0.0 108.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -171.0 162.92 7.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.544 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 18.4 p90 -74.36 110.43 8.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.626 HG11 ' CD1' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -98.09 -48.18 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.607 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 2.3 t0 -73.47 -154.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t -78.51 54.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.068 . . . . 0.0 110.447 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.28 2.39 54.09 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.6 1.188 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 14.6 t -82.39 118.87 30.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.446 0.733 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 7.3 mt -68.64 100.16 1.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.472 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . . . -109.52 144.86 37.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.9 m -108.93 153.17 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.607 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -86.99 178.95 1.96 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.667 1.229 . . . . 0.0 109.369 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -75.0 -16.31 20.27 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.562 1.822 . . . . 0.0 111.097 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.44 12.51 31.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.603 1.189 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.595 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.9 t70 -88.42 -0.87 57.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.607 1.192 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 5.1 m-85 -107.85 91.03 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.459 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -147.91 81.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.962 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' SER . 52.4 p -37.13 129.78 0.89 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.539 1.149 . . . . 0.0 110.046 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.493 HG22 ' CG2' ' A' ' 65' ' ' THR . 3.2 t -143.25 151.91 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.6 1.188 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.583 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -132.35 146.38 51.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.407 1.067 . . . . 0.0 110.478 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 27' ' ' GLN . . . -99.12 137.6 37.41 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.654 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -58.69 159.35 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.359 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.79 -32.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.386 1.054 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 58' ' ' ASP . 38.6 t30 -88.56 35.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.37 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 39.64 43.45 2.26 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.621 1.201 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 19.3 m -116.29 103.86 10.91 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.583 0.814 . . . . 0.0 109.949 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.09 95.61 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.368 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 4.5 p -98.78 82.27 2.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.493 ' CG2' HG22 ' A' ' 55' ' ' VAL . 31.3 m -109.26 136.14 49.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.3 p -90.42 125.48 35.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.013 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.437 ' CD2' HG13 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -137.5 163.64 30.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 17' ' ' THR . 5.3 t -106.08 137.31 44.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.348 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 14' ' ' SER . 21.2 t -89.35 87.08 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.691 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -95.19 70.86 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -36.73 -32.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -88.63 136.77 32.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.395 1.059 . . . . 0.0 110.022 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.691 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER 168.09 -178.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.462 1.101 . . . . 0.0 110.923 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -97.61 110.04 22.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.33 1.019 . . . . 0.0 110.353 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.66 145.85 34.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.619 ' CE1' ' O ' ' A' ' 77' ' ' LEU . 2.1 t80 -133.48 123.83 25.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 0.802 . . . . 0.0 111.002 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.619 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 7.5 mt -66.6 154.65 39.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -83.57 -27.62 29.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -56.89 -44.81 82.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.36 -21.63 0.74 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.602 1.189 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 45.2 m -82.55 158.55 23.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 0.798 . . . . 0.0 110.441 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -111.01 142.14 43.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.626 ' CD1' HG11 ' A' ' 40' ' ' VAL . 44.4 t-105 -101.44 -84.57 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 108.021 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 124.32 -74.48 0.4 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.587 1.179 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.537 ' O ' ' CB ' ' A' ' 86' ' ' VAL . 1.1 m 67.35 -62.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 0.716 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.537 ' CB ' ' O ' ' A' ' 85' ' ' THR . 3.3 t 88.55 -32.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.379 1.049 . . . . 0.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.509 ' O ' ' CG2' ' A' ' 85' ' ' THR . 29.2 t0 -138.42 115.89 11.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 13.0 t -88.99 55.87 3.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 108.342 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.7 t -96.06 -16.06 21.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 110.414 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.2 m -89.0 -56.81 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.456 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.65 156.75 17.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.19 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -88.81 122.41 32.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.679 1.237 . . . . 0.0 109.222 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -86.91 120.78 28.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.567 1.167 . . . . 0.0 108.339 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.458 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 20.3 mt-30 -99.41 116.12 30.83 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 41.8 t -88.88 123.75 41.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.096 . . . . 0.0 109.237 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -172.43 173.46 45.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.44 HD11 ' CD1' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -106.05 126.68 52.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.779 . . . . 0.0 109.36 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.03 170.66 7.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.093 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.592 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -64.43 161.23 17.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.21 -22.37 6.6 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.614 1.196 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.27 -27.21 26.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 99' ' ' ASP . . . 100.17 16.57 27.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -95.57 157.65 15.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.55 114.59 3.59 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.448 1.093 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 52.85 3.13 Favored 'Trans proline' 0 C--N 1.358 1.032 0 O-C-N 124.501 1.79 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -90.53 102.11 14.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.09 144.13 4.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.39 1.056 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.1 p -106.09 129.9 58.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.531 0.783 . . . . 0.0 109.192 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.84 91.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.521 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -106.47 138.13 33.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.554 1.158 . . . . 0.0 109.387 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 3.9 p . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.076 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.459 ' C ' ' CG2' ' A' ' 4' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.455 -0.777 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.513 ' HB ' ' CD2' ' A' ' 26' ' ' LEU . 0.8 OUTLIER 62.48 -153.9 0.35 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.57 1.169 . . . . 0.0 110.432 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.473 ' HB2' ' CD2' ' A' ' 97' ' ' LEU . . . -73.13 125.67 28.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.391 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -139.19 148.7 43.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.371 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.595 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 84.7 t -86.04 126.06 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.724 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -30.4 -68.5 0.12 Allowed Pre-proline 0 C--N 1.323 -0.568 0 O-C-N 124.615 1.197 . . . . 0.0 110.432 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.724 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.98 -158.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 111.081 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.457 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 15.0 p -148.73 -75.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.8 t -108.59 149.12 29.33 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.477 1.111 . . . . 0.0 109.954 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.59 28.08 8.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.572 1.17 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.505 ' CD1' HG22 ' A' ' 110' ' ' ILE . 1.2 mt -86.08 164.55 17.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 109.213 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.586 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.7 OUTLIER -127.16 159.91 32.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.888 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.87 64.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.07 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 138.92 39.25 0.1 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.485 1.116 . . . . 0.0 111.115 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.504 ' HB ' ' CG1' ' A' ' 69' ' ' VAL . 1.1 m -92.01 116.47 28.95 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.549 0.793 . . . . 0.0 110.27 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.23 128.91 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.226 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.479 ' CG2' HG11 ' A' ' 7' ' ' VAL . 15.3 m -145.16 165.46 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -98.23 124.64 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.381 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 t -99.19 94.63 3.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.576 1.172 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.26 120.17 30.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.405 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.435 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -111.27 96.22 0.87 Allowed Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.428 1.08 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.01 103.34 15.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.394 0.702 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.24 14.59 25.74 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.531 1.144 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.513 ' CD2' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -84.18 -143.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.726 . . . . 0.0 109.293 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.641 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 35.0 mm-40 -49.49 90.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -57.97 83.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 75.71 6.13 80.72 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.479 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.11 -176.52 4.63 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.533 0.784 . . . . 0.0 110.35 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.521 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -137.23 112.79 9.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 2.7 m-30 -117.46 170.97 8.31 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.453 1.096 . . . . 0.0 111.079 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.79 123.17 32.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 1.074 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.485 HG13 ' CB ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -85.35 139.33 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.549 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 163.75 144.14 3.94 Favored Glycine 0 CA--C 1.528 0.856 0 O-C-N 124.421 1.076 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.738 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 4.8 pm0 -92.45 119.12 31.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.363 0.684 . . . . 0.0 110.328 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 t -109.78 154.21 23.27 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.353 1.033 . . . . 0.0 108.394 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.416 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -167.44 153.32 7.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.358 1.037 . . . . 0.0 109.218 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 45' ' ' LEU . 29.7 p-90 -69.76 106.72 3.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 107.96 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.634 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -90.1 -46.01 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.407 1.067 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.609 ' OD1' ' CH2' ' A' ' 83' ' ' TRP . 1.2 t0 -86.51 -166.37 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -61.97 79.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.423 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 67.65 24.51 74.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 26.0 t -100.47 106.25 18.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.361 0.683 . . . . 0.0 109.245 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 4.3 mt -57.43 95.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.402 ' HB3' HG11 ' A' ' 40' ' ' VAL . . . -102.42 132.24 48.57 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.608 1.193 . . . . 0.0 109.37 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.6 m -96.75 155.39 16.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 108.322 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.67 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -88.87 168.41 15.74 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.501 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.96 -8.66 20.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.582 1.833 . . . . 0.0 111.022 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.52 10.68 33.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.549 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -89.75 5.01 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.231 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 4.2 m-85 -107.05 88.97 2.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.082 . . . . 0.0 111.038 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.485 ' CB ' HG13 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -150.68 85.73 1.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.919 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 53' ' ' SER . 40.0 t -35.96 149.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.419 ' CG1' HG22 ' A' ' 34' ' ' VAL . 10.6 p -158.02 155.62 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.224 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.521 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -138.97 141.92 38.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 0.0 110.393 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.482 ' HB3' ' CB ' ' A' ' 63' ' ' ALA . . . -107.39 144.29 34.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -59.8 160.07 8.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.77 -32.22 0.21 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -88.34 35.87 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.368 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.78 42.61 4.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.425 1.078 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -102.34 95.8 6.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.758 . . . . 0.0 110.057 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.482 ' CB ' ' HB3' ' A' ' 57' ' ' ALA . . . -106.4 80.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 p -93.97 77.82 4.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.888 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 m -109.56 139.18 44.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.444 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.5 p -97.73 135.01 40.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 110.075 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.64 171.21 15.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.364 1.04 . . . . 0.0 109.342 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.469 ' CG2' ' HA2' ' A' ' 16' ' ' GLY . 2.0 m -105.92 130.47 53.86 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.564 1.165 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.504 ' CG1' ' HB ' ' A' ' 17' ' ' THR . 7.3 p -86.0 92.07 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.694 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 3.4 mtt180 -87.69 72.24 9.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.067 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 20.7 ttp180 -38.54 -36.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.193 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.554 ' C ' ' CG ' ' A' ' 73' ' ' PHE . 4.0 m -98.75 148.93 23.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 110.032 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.694 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 161.18 -172.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.953 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 1.2 tt0 -100.79 97.34 7.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.241 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.14 162.17 43.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 82' ' ' ARG . 47.0 m-85 -142.57 124.02 14.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 0.796 . . . . 0.0 110.988 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 18.1 mt -53.96 159.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.237 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.493 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 2.1 p90 -73.24 -32.2 64.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.06 -51.55 65.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.87 -24.21 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.406 1.066 . . . . 0.0 110.965 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.0 m -74.56 149.11 40.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.591 ' HB2' ' CE2' ' A' ' 76' ' ' PHE . 5.4 ttm180 -90.53 142.61 27.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.634 ' CD1' HG12 ' A' ' 40' ' ' VAL . 76.3 t-105 -102.4 -89.22 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.119 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 74' ' ' GLU . . . 164.09 -67.59 0.22 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.486 HG21 ' CG2' ' A' ' 40' ' ' VAL . 2.0 m 78.7 -62.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 t 75.43 -77.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -128.88 110.17 11.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.18 . . . . 0.0 109.39 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 49.7 t -75.01 57.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 0.0 108.247 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.8 t -100.02 -25.4 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.384 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.0 m -88.81 -51.72 5.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.499 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -89.36 147.02 24.3 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.401 1.063 . . . . 0.0 109.227 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.01 122.79 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.354 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -91.09 119.34 31.15 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.498 1.123 . . . . 0.0 108.33 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.558 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 23.3 mt-30 -91.84 115.22 27.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.507 ' HA ' ' CB ' ' A' ' 36' ' ' GLN . 2.3 t -88.28 123.01 40.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -170.4 170.14 42.79 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.64 1.213 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.481 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -106.33 118.22 36.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.1 p -90.44 159.88 16.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.905 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.555 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -57.32 163.71 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.15 -16.82 62.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.36 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.26 -23.04 54.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.1 39.1 3.61 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.625 1.203 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.23 157.98 43.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.407 0.71 . . . . 0.0 109.394 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.51 122.26 0.94 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -5.54 16.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.612 1.849 . . . . 0.0 111.057 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 130.68 43.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.02 130.64 1.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.084 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 p -106.61 125.86 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 O-C-N 124.472 0.748 . . . . 0.0 109.382 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.92 91.16 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.592 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -109.8 141.98 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.39 1.056 . . . . 0.0 109.334 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.2 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.941 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.484 ' O ' HG22 ' A' ' 6' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.92 -0.454 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 19.3 p 49.35 -125.96 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -81.93 119.35 23.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.608 1.193 . . . . 0.0 109.273 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -148.01 147.66 29.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.353 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.578 ' CG1' HG13 ' A' ' 110' ' ' ILE . 4.7 p -97.5 147.63 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.498 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -37.13 -56.19 1.56 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.176 . . . . 0.0 110.436 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.15 -177.92 3.83 Favored 'Trans proline' 0 C--N 1.362 1.259 0 O-C-N 124.406 1.74 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.451 ' HA ' HG12 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -150.23 -44.86 0.13 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.531 1.144 . . . . 0.0 109.914 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.7 m -134.04 -174.51 3.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 0.0 110.068 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 37.84 44.99 1.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.561 1.163 . . . . 0.0 110.988 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -73.78 167.39 21.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.625 0.838 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.59 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -116.59 144.4 44.43 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.16 . . . . 0.0 110.012 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -59.49 74.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 120.98 39.73 0.58 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.606 1.191 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.501 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 3.3 m -82.48 108.07 15.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.424 0.72 . . . . 0.0 110.393 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.471 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.5 t -78.85 127.15 39.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.498 HG13 ' CG2' ' A' ' 8' ' ' THR . 0.0 OUTLIER -153.25 179.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -107.72 135.5 49.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.425 ' CG2' HG22 ' A' ' 7' ' ' VAL . 61.8 t -106.64 105.28 18.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.344 1.028 . . . . 0.0 109.313 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.79 132.96 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.352 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 5' ' ' ALA . . . -109.29 86.58 0.45 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.592 1.183 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 4' ' ' THR . . . -85.5 100.05 11.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.3 32.12 8.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.592 1.182 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -149.11 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 0.716 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.582 ' HG3' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -84.98 82.39 8.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.359 1.037 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.49 ' HB1' ' CA ' ' A' ' 61' ' ' GLY . . . -59.2 118.08 5.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.623 1.202 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.99 -30.51 7.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 111.068 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.495 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.07 -178.63 5.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.61 0.83 . . . . 0.0 110.411 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.449 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -160.45 140.97 11.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.582 ' CE2' ' HG3' ' A' ' 27' ' ' GLN . 20.7 m-85 -137.46 -179.84 5.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 111.058 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.7 m-20 -90.69 122.26 33.3 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.488 HG23 ' CG1' ' A' ' 55' ' ' VAL . 1.2 t -89.41 141.51 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.552 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 171.78 157.88 14.64 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.395 1.059 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.8 OUTLIER -91.5 107.62 19.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 110.318 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 1.3 t -107.18 150.16 26.92 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.506 1.129 . . . . 0.0 108.355 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -174.9 161.2 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.515 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 64.0 p-90 -66.27 109.54 2.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.519 1.137 . . . . 0.0 107.964 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.606 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -103.66 -47.66 10.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.547 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 4.5 t70 -91.99 170.44 9.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.079 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.489 ' N ' ' CG ' ' A' ' 41' ' ' ASP . 12.6 m -31.89 95.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.349 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 40.29 26.84 0.13 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 110.951 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.467 ' CG1' HD23 ' A' ' 77' ' ' LEU . 3.0 t -103.15 127.52 56.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.428 0.722 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.67 107.26 2.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -117.29 136.04 53.39 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.7 m -96.06 160.36 14.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 108.457 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.464 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.9 OUTLIER -85.11 164.7 40.3 Favored Pre-proline 0 C--N 1.323 -0.565 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.574 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.97 -14.51 21.19 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.5 13.0 28.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.242 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.575 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.86 9.99 22.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.388 179.871 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 2.3 m-85 -105.2 89.09 3.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.376 1.048 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.522 ' OG ' ' CD2' ' A' ' 67' ' ' LEU . 7.1 t -149.71 89.83 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.973 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -35.21 151.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.981 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.488 ' CG1' HG23 ' A' ' 34' ' ' VAL . 11.0 p -150.95 148.29 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.444 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -140.4 138.81 35.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.378 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.69 125.22 42.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.093 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.682 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -62.39 158.33 17.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.45 -33.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.167 . . . . 0.0 109.258 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 58' ' ' ASP . 20.2 t-20 -89.24 35.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.682 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.05 42.7 2.37 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.435 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 14.5 m -109.15 103.69 12.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 110.035 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.75 86.73 2.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.242 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.6 p -96.29 81.63 3.33 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.566 1.166 . . . . 0.0 109.95 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.482 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 1.0 OUTLIER -109.23 127.25 54.1 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 52.9 p -100.39 140.74 34.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 110.052 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.522 ' CD2' ' OG ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -153.51 -174.72 5.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 109.213 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 14.4 t -103.85 129.71 51.35 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 124.448 1.093 . . . . 0.0 110.441 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.472 HG22 ' CG2' ' A' ' 19' ' ' VAL . 24.5 t -89.72 85.83 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.416 1.073 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.442 ' NE ' ' CA ' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -102.5 103.58 13.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.373 1.046 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -76.3 -31.89 58.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.234 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 27.8 m -94.19 129.35 40.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.48 ' HB3' ' CG ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 163.3 177.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.491 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 3.0 tp10 -80.77 120.86 25.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.11 159.89 26.77 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -133.14 127.96 35.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.96 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 83' ' ' TRP . 4.0 mp -67.86 151.11 47.69 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.388 1.055 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -79.89 -17.89 52.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.43 -48.09 82.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.235 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.15 -26.18 0.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.398 1.061 . . . . 0.0 111.054 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.5 t -90.11 168.97 11.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 0.78 . . . . 0.0 110.357 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -112.56 148.7 33.97 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.606 ' CD1' HG13 ' A' ' 40' ' ' VAL . 37.9 t-105 -103.48 -89.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 142.4 -76.17 0.31 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.366 1.041 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.622 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 1.4 m 66.73 -61.47 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 0.729 . . . . 0.0 110.41 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.622 ' CG2' ' O ' ' A' ' 85' ' ' THR . 0.8 OUTLIER 80.45 -22.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 85' ' ' THR . 2.1 t0 -141.24 103.67 4.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 42.0 t -91.2 43.14 1.13 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.68 1.237 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t -89.64 -14.1 35.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.379 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.7 m -88.65 -51.7 5.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.461 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.2 116.9 29.19 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.49 110.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.457 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -83.49 123.83 30.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.423 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.521 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.9 pt20 -101.72 117.55 35.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.497 HG23 ' CG2' ' A' ' 110' ' ' ILE . 2.8 t -86.04 109.2 18.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -156.54 177.71 33.38 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 33' ' ' ASP . 1.5 pt? -106.23 117.67 34.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.425 0.721 . . . . 0.0 109.33 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.6 t -83.24 129.54 35.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.458 ' HA ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -64.53 161.85 16.57 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.26 10.94 15.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.66 -17.0 24.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.149 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.455 ' C ' ' ND2' ' A' ' 103' ' ' ASN . . . 102.22 42.5 2.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.087 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.455 ' ND2' ' C ' ' A' ' 102' ' ' GLY . 0.2 OUTLIER -140.84 152.4 45.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 0.743 . . . . 0.0 109.195 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.444 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -135.35 62.15 0.62 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.3 Cg_endo -75.11 -32.49 5.21 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.98 141.17 30.53 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.644 1.215 . . . . 0.0 110.336 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 95' ' ' VAL . . . 144.17 126.78 1.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 110' ' ' ILE . 2.1 p -105.37 123.35 59.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.509 0.77 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.89 87.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.661 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.1 OUTLIER -92.52 138.65 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 8.0 p . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 110.054 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' THR . 18.7 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 111.06 -0.4 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.424 ' O ' ' HA2' ' A' ' 23' ' ' GLY . 3.5 p 36.37 -149.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.451 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.31 122.21 28.14 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.551 1.157 . . . . 0.0 109.216 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -143.57 143.45 31.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.542 ' CG2' ' CG2' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -74.19 130.6 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.617 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.71 -63.07 0.32 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.339 1.024 . . . . 0.0 110.385 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.617 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 17.8 Cg_endo -75.08 -160.75 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.549 1.815 . . . . 0.0 110.978 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.522 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 15.5 p -151.51 -70.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.891 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.04 158.1 19.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.53 26.2 30.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.594 1.184 . . . . 0.0 111.012 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.489 ' CD1' HG23 ' A' ' 110' ' ' ILE . 83.8 mt -90.64 150.44 21.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.556 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.0 t -123.3 156.83 34.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.894 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.43 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 5.5 p-10 -58.16 79.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 134.78 33.3 0.29 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.557 1.16 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.475 ' CG2' HD23 ' A' ' 13' ' ' LEU . 22.4 m -89.49 105.28 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 110.483 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -73.79 116.81 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.542 ' CG2' ' CG2' ' A' ' 7' ' ' VAL . 1.7 m -141.91 171.84 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.373 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -115.75 127.07 54.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.39 1.056 . . . . 0.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 6' ' ' THR . 2.1 t -94.09 110.33 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.55 126.25 35.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.666 1.229 . . . . 0.0 109.211 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -104.67 127.54 9.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.402 1.064 . . . . 0.0 111.01 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.84 102.63 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.402 ' HA2' ' HA3' ' A' ' 61' ' ' GLY . . . 76.88 29.22 57.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.639 1.212 . . . . 0.0 110.988 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.493 HD11 ' CD1' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -77.64 -143.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.582 0.813 . . . . 0.0 109.342 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.704 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 6.8 mm-40 -37.81 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 110.185 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.553 ' C ' ' O ' ' A' ' 27' ' ' GLN . . . 28.7 87.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.209 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.17 -39.05 3.03 Favored Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.404 1.065 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.505 ' HB ' ' CD ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -90.89 -160.68 0.74 Allowed 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.312 0.654 . . . . 0.0 110.346 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -158.21 150.38 21.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.704 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.4 m-30 -144.56 170.14 16.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.441 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -90.5 118.57 30.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.439 1.087 . . . . 0.0 109.222 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.493 HG23 ' CD2' ' A' ' 97' ' ' LEU . 53.1 t -76.41 141.16 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.566 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 170.53 156.91 11.79 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.458 1.099 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 1.0 OUTLIER -92.56 102.69 15.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.576 0.809 . . . . 0.0 110.225 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.7 t -106.18 149.36 26.89 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.135 . . . . 0.0 108.321 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -175.43 166.56 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.602 1.189 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.503 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 45.8 p-90 -69.13 106.55 2.86 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 108.102 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.696 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -90.08 -46.3 14.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.584 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -90.65 -163.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.2 m -63.89 81.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 110.315 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.75 17.7 69.5 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.393 1.058 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.481 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 58.2 t -93.61 111.1 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.457 0.739 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.7 101.17 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.452 ' HB1' ' CG1' ' A' ' 40' ' ' VAL . . . -114.35 141.37 47.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 37.3 m -101.52 155.46 18.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 108.334 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.471 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.9 OUTLIER -80.63 165.04 48.41 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.528 ' O ' ' CD2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.97 -16.19 20.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.567 1.825 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.53 13.75 29.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.611 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.59 12.89 13.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 49' ' ' PRO . 4.1 m-85 -105.48 91.35 3.73 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.508 1.13 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.414 ' OG ' ' CD2' ' A' ' 67' ' ' LEU . 37.3 t -144.32 81.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.0 t -40.74 142.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.649 1.218 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 34' ' ' VAL . 1.1 t -159.69 161.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.454 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -134.16 151.49 51.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.618 1.199 . . . . 0.0 110.347 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.45 ' HB3' ' N ' ' A' ' 28' ' ' ALA . . . -105.4 136.76 44.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.597 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -72.15 152.71 42.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.28 -32.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.205 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 58' ' ' ASP . 22.7 t-20 -88.13 38.0 0.83 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.383 1.052 . . . . 0.0 109.221 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 39.46 33.43 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.454 1.096 . . . . 0.0 111.033 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -90.56 99.7 12.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 110.021 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.454 ' CB ' ' HA3' ' A' ' 23' ' ' GLY . . . -105.01 78.76 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.61 1.194 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.9 p -89.13 84.1 6.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.027 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.1 t -105.67 159.68 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 p -134.04 127.42 32.22 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.594 1.183 . . . . 0.0 110.075 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.414 ' CD2' ' OG ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -155.1 173.02 17.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.242 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.542 ' CG2' ' C ' ' A' ' 16' ' ' GLY . 93.0 m -106.51 144.39 33.25 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.515 1.134 . . . . 0.0 110.33 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 14' ' ' SER . 10.6 t -92.18 81.88 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.546 1.154 . . . . 0.0 109.393 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.448 ' HD3' ' CA ' ' A' ' 16' ' ' GLY . 8.4 mmt180 -90.5 65.35 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 111' ' ' SER . 4.5 ttm180 -40.27 -33.16 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -89.1 129.48 35.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.01 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.526 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 162.27 173.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.623 1.202 . . . . 0.0 110.951 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.432 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 5.7 tp10 -82.4 112.38 19.3 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.494 1.121 . . . . 0.0 110.231 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.39 162.47 43.85 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.337 1.023 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 1.5 m-85 -138.74 133.04 31.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.454 ' CD1' ' HB2' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -71.37 157.02 38.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 109.181 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -87.06 -17.81 32.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -47.23 86.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.23 -26.08 0.31 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.442 1.089 . . . . 0.0 110.972 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 t -89.78 169.63 11.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.385 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.589 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 11.0 ptt-85 -113.82 152.07 31.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.696 ' CD1' HG12 ' A' ' 40' ' ' VAL . 62.8 t-105 -104.57 -86.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 107.964 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.478 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 128.29 -83.64 0.33 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.515 ' OG1' ' CD1' ' A' ' 83' ' ' TRP . 2.8 m 67.99 -60.83 0.4 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 0.763 . . . . 0.0 110.461 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.498 ' CB ' ' O ' ' A' ' 85' ' ' THR . 2.8 t 85.16 -18.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.218 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.458 ' O ' ' CG2' ' A' ' 85' ' ' THR . 6.3 t0 -139.21 100.98 4.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 36.7 t -91.73 44.85 1.19 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.42 ' HA ' ' CD ' ' A' ' 71' ' ' ARG . 9.8 t -90.63 -12.63 36.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.4 m -87.84 -53.51 4.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -93.49 111.85 23.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.387 1.055 . . . . 0.0 109.2 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.63 112.45 0.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 109.239 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.477 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -80.42 126.55 31.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 108.306 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.51 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 15.1 mt-30 -96.65 116.99 30.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 3.6 t -86.72 120.66 36.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -176.97 178.32 48.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.555 1.159 . . . . 0.0 111.051 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.603 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -105.75 130.15 53.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.255 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.445 ' CB ' ' HB3' ' A' ' 105' ' ' PRO . 97.2 p -102.26 167.82 9.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.592 1.182 . . . . 0.0 110.054 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.68 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -89.84 157.59 17.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.561 1.163 . . . . 0.0 109.354 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.81 4.99 50.19 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.5 -32.59 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.91 51.26 0.96 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.048 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 105' ' ' PRO . 15.9 m-20 -114.49 154.05 28.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -34.05 94.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.558 1.161 . . . . 0.0 111.083 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.3 Cg_endo -75.0 144.25 30.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.596 1.84 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.06 129.58 37.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.654 1.221 . . . . 0.0 110.37 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -157.45 143.84 9.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.381 1.051 . . . . 0.0 111.059 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 110' ' ' ILE . 3.7 p -105.33 118.72 53.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.07 86.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.604 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -105.59 159.59 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.8 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.036 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 110.919 -0.454 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 1.5 p 46.35 -146.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.397 1.061 . . . . 0.0 110.483 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.446 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -78.41 122.74 26.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -141.7 143.08 33.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.414 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.487 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 1.5 t -83.22 138.36 19.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.709 1.256 . . . . 0.0 109.15 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.5 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -38.5 -51.42 3.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.474 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.03 -174.39 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.446 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 6.9 m -152.56 -40.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.6 p -146.06 171.96 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.601 1.188 . . . . 0.0 109.954 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 13' ' ' LEU . . . 60.11 27.35 64.82 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.53 1.144 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.548 ' C ' ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -45.34 172.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 0.735 . . . . 0.0 109.286 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.551 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -132.95 149.73 52.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.07 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' SER . 6.6 p-10 -38.31 93.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.408 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 65.22 64.27 3.61 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.458 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 6.7 m -77.27 108.69 10.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.389 0.7 . . . . 0.0 110.507 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.423 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.8 t -75.62 119.83 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.407 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.486 ' CG1' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -145.09 -178.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.6 1.187 . . . . 0.0 109.17 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -107.63 138.19 44.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.332 1.02 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 6' ' ' THR . 2.4 t -112.22 100.14 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.356 1.035 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.28 132.27 34.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -112.18 109.19 2.38 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.472 1.107 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.17 108.9 21.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.37 36.86 54.69 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -83.35 -124.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 0.775 . . . . 0.0 109.361 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.646 ' OE1' ' CD2' ' A' ' 32' ' ' TYR . 15.7 mm100 -40.87 -23.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.58 1.175 . . . . 0.0 110.379 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.536 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 67.14 9.38 6.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.353 1.033 . . . . 0.0 109.246 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 136.86 -11.25 3.94 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.49 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -80.3 -168.13 1.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 0.751 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.571 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -144.15 144.25 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.069 . . . . 0.0 109.402 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.646 ' CD2' ' OE1' ' A' ' 27' ' ' GLN . 2.0 m-30 -150.36 -167.03 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.466 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -113.78 127.86 56.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.503 HG23 ' CG1' ' A' ' 55' ' ' VAL . 1.1 t -89.53 150.87 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.103 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.596 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 168.78 152.12 7.55 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.3 104.78 16.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 0.708 . . . . 0.0 110.246 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.42 152.29 24.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.36 1.037 . . . . 0.0 108.264 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -178.09 161.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 29.4 p-90 -62.44 116.19 4.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 107.944 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.603 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -102.61 -40.93 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.658 1.224 . . . . 0.0 109.228 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.438 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 1.8 t70 -83.65 -154.18 0.15 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.455 ' O ' ' CG2' ' A' ' 42' ' ' THR . 11.5 t -85.35 54.11 2.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.47 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.97 3.78 33.91 Favored Glycine 0 CA--C 1.532 1.156 0 O-C-N 124.466 1.104 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.434 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 8.6 t -91.53 114.8 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.804 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 108.54 1.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.476 ' CB ' ' CG1' ' A' ' 40' ' ' VAL . . . -118.98 140.6 49.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.2 m -99.45 158.65 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 108.256 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.552 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -88.45 170.93 10.18 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.379 1.05 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.514 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.01 -12.89 21.5 Favored 'Trans proline' 0 C--N 1.358 1.059 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.21 16.69 24.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.382 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.596 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.6 t70 -88.23 4.87 44.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -108.23 93.38 4.5 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.474 ' O ' ' C ' ' A' ' 54' ' ' SER . 8.6 t -150.38 86.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.051 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 53' ' ' SER . 88.5 p -33.04 148.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 110.065 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.503 ' CG1' HG23 ' A' ' 34' ' ' VAL . 9.3 p -153.47 159.36 3.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.676 1.235 . . . . 0.0 109.339 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.531 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 1.3 m -152.41 138.05 17.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.396 1.06 . . . . 0.0 110.481 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.518 ' CB ' ' HB2' ' A' ' 27' ' ' GLN . . . -105.22 130.23 53.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -59.27 159.24 7.97 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.335 1.022 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.81 -33.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.209 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' ASP . 22.7 t30 -88.18 36.44 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 0.0 109.343 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.644 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.18 38.05 1.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.407 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 16.4 m -98.82 94.37 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.108 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.56 89.24 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 109.337 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 m -97.33 80.39 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.461 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 3.9 t -108.08 132.36 53.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.401 ' O ' HD21 ' A' ' 67' ' ' LEU . 19.1 p -95.88 142.12 28.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.909 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.433 HD22 ' CB ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -152.96 168.08 27.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.631 1.207 . . . . 0.0 109.225 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 14.9 t -105.02 134.87 47.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 110.419 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.485 HG13 ' CD2' ' A' ' 13' ' ' LEU . 21.7 t -87.49 88.1 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.633 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -87.23 87.5 7.45 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.477 1.111 . . . . 0.0 110.363 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.402 ' CZ ' HD13 ' A' ' 13' ' ' LEU . 4.3 ttm-85 -53.7 -34.05 57.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.302 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.614 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 86.5 p -104.79 128.48 52.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.375 1.047 . . . . 0.0 110.037 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.633 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -177.14 176.08 1.43 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.583 1.177 . . . . 0.0 111.065 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.43 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 2.1 tp10 -94.15 109.71 21.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 110.347 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.52 153.62 49.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.4 1.063 . . . . 0.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 2.6 m-85 -128.72 113.52 15.46 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 0.789 . . . . 0.0 111.01 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 23.6 mt -53.21 155.36 2.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.499 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -74.3 -31.87 62.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.48 -50.69 64.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.49 -22.86 0.56 Allowed Glycine 0 CA--C 1.532 1.128 0 O-C-N 124.583 1.177 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 43.9 m -80.7 153.0 28.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.611 0.83 . . . . 0.0 110.36 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.529 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -99.05 135.59 40.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.369 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.603 ' CD1' HG13 ' A' ' 40' ' ' VAL . 34.0 t-105 -97.53 -89.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.017 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.491 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 146.12 -75.39 0.29 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.549 ' OG1' ' CD1' ' A' ' 83' ' ' TRP . 15.7 m 68.7 -55.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.589 0.817 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 72' ' ' SER . 61.6 t 74.38 -104.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.371 1.044 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.49 110.54 1.71 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.378 1.048 . . . . 0.0 109.309 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 38.3 t -87.84 48.22 1.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 0.0 108.322 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.1 t -93.08 -17.93 23.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.5 m -89.1 -56.92 3.08 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.527 1.142 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.436 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -91.37 147.36 23.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.86 119.69 25.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.26 120.9 26.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 108.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 10.6 mt-30 -96.64 114.12 25.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 110.287 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.431 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 12.7 t -88.11 113.42 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -165.99 179.14 40.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.353 1.033 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.514 ' CD1' ' HB2' ' A' ' 32' ' ' TYR . 1.4 pt? -107.4 144.09 34.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 0.721 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 p -89.88 155.73 18.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.405 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -95.81 157.77 15.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.55 -0.82 31.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.58 -8.98 27.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 62.68 51.09 58.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.339 1.024 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 105' ' ' PRO . 69.5 m-20 -125.05 150.54 46.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -35.43 96.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.39 1.056 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.3 Cg_endo -75.09 176.62 9.68 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.539 1.81 . . . . 0.0 110.961 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.67 106.57 18.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -124.47 132.19 8.15 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.556 1.16 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 110' ' ' ILE . 6.7 p -101.55 119.2 49.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 109.3 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.0 83.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.378 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.542 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -101.47 125.34 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.542 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.3 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.947 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.449 ' O ' ' OG1' ' A' ' 4' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.802 0 N-CA-C 110.841 -0.484 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 3' ' ' PRO . 30.0 p 47.74 -121.11 1.27 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 110.34 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.413 ' HA ' ' HA2' ' A' ' 23' ' ' GLY . . . -88.59 122.76 32.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -148.54 151.84 35.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.512 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.608 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 5.4 t -83.93 133.52 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.58 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.68 -60.78 0.43 Allowed Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.577 1.173 . . . . 0.0 110.346 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.58 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 17.9 Cg_endo -75.04 -160.35 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.929 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.403 ' O ' HD11 ' A' ' 13' ' ' LEU . 64.2 m -152.64 -62.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.056 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 t -125.26 162.08 25.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.61 1.194 . . . . 0.0 109.944 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.12 20.46 62.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.575 1.172 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.491 ' CD1' ' N ' ' A' ' 111' ' ' SER . 1.1 mp -73.49 160.44 31.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.228 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.9 t -123.83 152.01 42.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.992 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.6 80.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 124.77 37.35 0.55 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.097 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.0 m -88.04 104.87 17.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 0.735 . . . . 0.0 110.48 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.9 t -75.1 119.29 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.608 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 2.4 m -141.47 176.95 3.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 4.3 ttpm? -110.09 129.17 55.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 0.0 109.345 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 6' ' ' THR . 2.7 t -101.95 108.74 24.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.424 1.078 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -90.12 132.92 35.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.237 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -108.28 87.17 0.48 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.513 1.133 . . . . 0.0 111.094 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.41 89.38 7.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 109.419 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.92 30.03 9.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.489 ' CD1' HD21 ' A' ' 97' ' ' LEU . 7.5 tp -78.48 -129.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.594 ' HB3' ' CB ' ' A' ' 30' ' ' THR . 1.6 mp0 -71.39 98.01 1.72 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.0 91.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.62 1.2 . . . . 0.0 109.423 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 66.9 6.91 39.86 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.402 1.064 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.594 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -89.49 177.49 6.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 0.73 . . . . 0.0 110.294 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.538 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -146.86 116.91 7.28 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.498 1.123 . . . . 0.0 109.224 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.579 ' CD2' ' CG ' ' A' ' 27' ' ' GLN . 17.0 m-30 -123.22 -166.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.046 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -103.41 121.46 42.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.509 ' CG1' HD13 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -90.64 139.26 17.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.552 1.158 . . . . 0.0 109.412 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.541 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 174.0 153.42 9.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 0.0 111.103 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.75 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -92.54 111.16 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 0.0 110.278 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.432 ' SG ' ' CD1' ' A' ' 45' ' ' LEU . 1.8 t -108.79 153.26 23.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -177.3 159.09 1.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -64.35 115.71 5.35 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.499 1.125 . . . . 0.0 108.049 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.586 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -97.14 -42.6 11.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.238 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.595 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.9 OUTLIER -83.53 -153.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.35 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.2 t -80.85 52.68 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.366 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.11 0.26 35.64 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.58 1.175 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 18.9 t -81.83 112.43 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.631 0.842 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.432 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 2.2 tm? -60.0 107.9 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.249 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.488 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . . . -119.74 138.15 53.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.085 . . . . 0.0 109.283 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.0 m -101.15 157.45 16.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 108.371 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.615 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 1.5 m120 -86.86 165.14 33.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.445 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.513 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -74.88 -9.64 21.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.73 12.23 31.2 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.558 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -87.98 7.79 29.48 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.474 1.109 . . . . 0.0 109.377 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -105.51 87.75 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.183 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 54' ' ' SER . 0.3 OUTLIER -148.58 86.37 1.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.367 1.042 . . . . 0.0 109.993 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' SER . 54.2 p -36.07 149.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.025 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.478 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 9.9 p -151.09 157.07 5.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 109.239 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.538 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -148.08 137.64 22.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -106.65 131.6 53.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -51.3 159.56 0.66 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.94 -29.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.43 ' N ' ' C ' ' A' ' 58' ' ' ASP . 3.4 t-20 -88.71 34.09 0.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.91 43.68 6.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.402 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 0.7 OUTLIER -107.11 96.08 6.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 0.714 . . . . 0.0 110.035 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.503 ' CB ' ' HB2' ' A' ' 57' ' ' ALA . . . -105.97 87.24 2.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.1 p -94.85 78.02 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.87 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.478 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 1.2 t -108.8 132.27 54.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 15.2 p -98.96 143.62 29.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.509 HD13 ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -149.4 173.81 13.14 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.5 m -105.59 130.25 53.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.608 1.192 . . . . 0.0 110.351 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.7 t -87.74 87.34 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.173 . . . . 0.0 109.32 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.632 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 35.4 mtt-85 -95.48 75.39 3.3 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.51 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 1.4 ttp85 -37.47 -30.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.285 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.506 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 41.9 m -94.87 116.24 28.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.632 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -160.17 161.06 33.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.448 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 2.3 tp10 -86.37 94.23 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.074 . . . . 0.0 110.298 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.401 ' HA3' ' CG2' ' A' ' 40' ' ' VAL . . . -52.45 150.74 8.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -134.99 106.51 6.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 0.728 . . . . 0.0 110.934 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 81' ' ' THR . 1.6 mp -49.49 145.7 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -70.84 -25.36 62.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.64 -29.75 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.621 1.201 . . . . 0.0 109.237 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.7 -10.86 6.34 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.545 1.153 . . . . 0.0 111.072 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.494 ' O ' ' CD1' ' A' ' 77' ' ' LEU . 16.7 m -89.82 145.78 24.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.337 0.669 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -94.73 135.67 35.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.595 ' CE3' ' OD2' ' A' ' 41' ' ' ASP . 72.2 t-105 -103.79 -90.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 107.98 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 145.17 -81.86 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.5 ' O ' ' HB ' ' A' ' 86' ' ' VAL . 2.2 m 66.76 -56.98 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 110.507 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' A' ' 72' ' ' SER . 95.2 t 71.31 -105.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 124.421 1.075 . . . . 0.0 109.257 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.413 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.5 OUTLIER -50.59 110.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 41.9 t -90.06 43.9 1.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 108.248 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.8 p -88.12 -21.89 24.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 m -88.53 -56.75 3.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.362 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.435 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.72 155.19 18.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.645 1.216 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.08 126.66 36.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.16 . . . . 0.0 109.199 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.76 121.52 33.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.59 1.181 . . . . 0.0 108.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.503 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 16.4 mt-30 -99.15 113.15 25.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.351 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 2.6 t -87.54 113.16 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.387 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -161.62 176.02 38.14 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.413 1.07 . . . . 0.0 111.062 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.503 ' CD1' ' HB2' ' A' ' 32' ' ' TYR . 1.5 pt? -105.71 134.74 48.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.395 0.703 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.7 p -86.72 136.64 32.94 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.581 1.176 . . . . 0.0 109.993 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -70.18 160.8 31.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.385 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.42 0.3 46.73 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.393 1.058 . . . . 0.0 109.358 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -100.13 -11.5 20.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.236 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.35 52.82 11.65 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.43 1.081 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLY . 78.2 m-20 -121.55 144.07 48.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.579 0.811 . . . . 0.0 109.32 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.72 97.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.5 Cg_endo -75.05 168.2 25.33 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.11 108.15 19.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.62 1.2 . . . . 0.0 110.227 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -116.63 139.48 15.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.9 p -100.6 122.88 53.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 0.73 . . . . 0.0 109.31 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.96 88.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.548 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.7 OUTLIER -98.79 139.06 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.389 1.055 . . . . 0.0 109.981 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.457 ' O ' ' O ' ' A' ' 22' ' ' ALA . 71.3 p 44.36 -141.13 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 110.399 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 22' ' ' ALA . . . -74.61 117.16 16.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.55 146.28 39.7 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.486 ' CG1' ' HB ' ' A' ' 19' ' ' VAL . 2.5 t -86.98 117.9 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.765 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -53.41 -70.31 0.29 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.765 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.98 55.56 3.97 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 111' ' ' SER . 91.5 p -88.05 24.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.46 126.62 53.65 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.414 1.071 . . . . 0.0 110.084 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.95 49.42 13.32 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.509 ' CD2' HG23 ' A' ' 69' ' ' VAL . 3.2 mp -62.95 172.35 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -139.48 154.35 47.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.04 87.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 112.86 37.39 1.4 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -93.15 121.6 34.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.42 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -74.34 114.62 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.585 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 26.8 m -121.3 159.17 23.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.493 1.12 . . . . 0.0 109.235 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -106.63 113.9 27.68 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 63' ' ' ALA . 3.1 t -88.98 93.89 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.46 117.36 28.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -98.53 97.94 1.95 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.09 98.47 10.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.769 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.29 32.82 10.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -95.23 -142.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 0.0 109.364 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.637 ' CG ' ' CD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -49.59 90.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.08 75.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.606 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 85.27 3.28 87.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.504 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -93.67 -174.49 3.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 0.747 . . . . 0.0 110.453 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.535 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -146.97 145.04 29.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.622 1.201 . . . . 0.0 109.226 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.637 ' CD2' ' CG ' ' A' ' 27' ' ' GLN . 13.0 m-30 -142.98 -167.86 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.886 ' HD2' ' HG ' ' A' ' 98' ' ' SER . 5.3 p-10 -103.39 114.33 28.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.435 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.575 ' CG1' ' CD1' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -88.32 133.83 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.619 1.199 . . . . 0.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.605 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . -178.17 153.41 12.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.356 1.035 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.525 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -92.33 104.0 16.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.232 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -106.65 151.16 25.44 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 177.05 163.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.7 m-90 -60.21 110.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 107.911 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.596 HG11 ' CD1' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -100.04 -39.24 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.429 1.081 . . . . 0.0 109.348 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.59 ' OD2' ' CZ3' ' A' ' 83' ' ' TRP . 3.7 t0 -84.63 -156.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.347 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.497 ' O ' ' CG2' ' A' ' 42' ' ' THR . 6.6 t -82.44 54.42 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.14 1.61 35.84 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.391 1.057 . . . . 0.0 111.054 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 4.9 t -89.38 122.15 40.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.602 0.825 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.84 105.7 2.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.496 ' CB ' ' CG1' ' A' ' 40' ' ' VAL . . . -117.36 140.65 49.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.6 m -98.3 157.7 16.02 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 108.289 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.587 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.9 OUTLIER -82.07 163.36 53.45 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.38 1.05 . . . . 0.0 109.347 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.528 ' CD ' ' HB3' ' A' ' 73' ' ' PHE . 18.1 Cg_endo -74.98 -16.2 20.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.39 16.43 26.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.611 1.194 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.605 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -88.25 9.48 22.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.462 ' CD2' ' O ' ' A' ' 49' ' ' PRO . 1.8 m-85 -105.57 87.08 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.484 ' CB ' HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -151.14 87.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.0 p -43.98 139.1 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.534 HG23 ' CG2' ' A' ' 65' ' ' THR . 5.6 p -126.01 161.65 31.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.379 1.05 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.506 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -147.36 126.62 13.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.417 1.073 . . . . 0.0 110.518 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.452 ' HB3' ' CB ' ' A' ' 63' ' ' ALA . . . -104.07 132.21 50.55 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -50.29 158.66 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.611 1.195 . . . . 0.0 109.367 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.45 -28.87 0.14 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 58' ' ' ASP . 10.9 t30 -88.18 33.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.34 42.53 5.62 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.355 1.034 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.422 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 1.5 m -106.47 98.85 8.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.282 0.637 . . . . 0.0 109.969 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 57' ' ' ALA . . . -106.12 79.2 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.628 1.205 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 m -94.29 71.92 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.534 ' CG2' HG23 ' A' ' 55' ' ' VAL . 70.2 p -111.39 136.99 49.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.3 p -99.15 142.07 31.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.575 ' CD1' ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -137.04 170.47 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 35.1 m -94.81 129.7 41.67 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.516 HG13 ' CZ ' ' A' ' 71' ' ' ARG . 47.1 t -89.71 87.06 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.5 79.8 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.204 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.516 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -56.36 -29.6 61.61 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.426 1.079 . . . . 0.0 110.247 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 0.6 OUTLIER -85.6 111.91 20.49 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.351 1.032 . . . . 0.0 109.991 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.528 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 179.53 164.4 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 111.053 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.486 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 12.8 tt0 -81.42 118.74 22.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.371 1.045 . . . . 0.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.67 168.6 43.9 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -140.45 122.5 15.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.939 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -63.41 137.89 58.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -57.85 -26.84 62.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.89 -52.87 46.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 154.71 -21.7 0.61 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.466 1.104 . . . . 0.0 111.051 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.4 m -87.34 148.07 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 0.815 . . . . 0.0 110.397 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -90.88 141.98 28.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.621 1.2 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.596 ' CD1' HG11 ' A' ' 40' ' ' VAL . 58.1 t-105 -105.64 -90.98 0.4 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.501 1.126 . . . . 0.0 108.073 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.495 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 146.23 -80.66 0.22 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.543 ' O ' ' HB ' ' A' ' 86' ' ' VAL . 5.2 m 68.85 -56.41 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.602 0.825 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.543 ' HB ' ' O ' ' A' ' 85' ' ' THR . 60.5 t 76.82 -103.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 0.0 109.24 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.19 89.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.602 1.189 . . . . 0.0 109.371 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 13.7 t -73.59 60.54 0.68 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.474 1.109 . . . . 0.0 108.353 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.8 t -103.6 -12.15 17.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.4 m -89.98 -57.86 2.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 110.524 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.421 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.05 124.91 35.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.7 120.61 9.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.4 1.063 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.406 ' HB2' ' NH1' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -90.26 126.17 35.75 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.493 1.12 . . . . 0.0 108.37 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.522 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 6.4 mt-30 -98.06 110.63 23.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.532 ' CG2' ' CD1' ' A' ' 110' ' ' ILE . 19.1 t -86.54 105.3 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -153.85 175.4 32.16 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.546 1.154 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.491 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -108.77 135.71 49.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 0.739 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.886 ' HG ' ' HD2' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -93.44 133.9 36.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.941 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.63 160.97 31.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.94 11.36 16.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.43 -24.7 18.76 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.419 1.074 . . . . 0.0 109.247 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 110.31 38.68 1.61 Allowed Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.426 1.079 . . . . 0.0 111.063 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.65 152.63 48.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.468 0.746 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.429 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -134.89 62.77 0.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.2 Cg_endo -75.08 -26.35 10.87 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.456 1.766 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.42 ' CB ' HD21 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -79.92 142.54 35.04 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.79 109.76 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.944 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 8.9 p -92.7 134.26 31.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.489 0.758 . . . . 0.0 109.351 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.09 94.72 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.549 1.156 . . . . 0.0 109.375 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.532 ' CD1' ' CG2' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -71.02 118.54 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 10' ' ' SER . 7.9 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.832 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.946 0 N-CA-C 110.93 -0.45 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 22' ' ' ALA . 1.5 p 40.45 -149.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.434 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.416 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -78.72 117.55 19.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.565 1.165 . . . . 0.0 109.347 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.53 146.25 39.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.372 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.649 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -87.43 127.75 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.732 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -28.79 -69.43 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 110.35 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.732 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.96 -159.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 6.1 m -148.43 -79.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.964 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.0 t -107.13 160.89 15.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.44 1.088 . . . . 0.0 110.072 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.82 30.19 32.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.417 1.073 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.485 ' CD1' HG23 ' A' ' 110' ' ' ILE . 9.7 mt -78.45 164.94 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.234 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.609 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.0 OUTLIER -125.87 149.7 48.47 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.458 1.099 . . . . 0.0 109.919 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -56.61 77.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.609 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 123.72 39.37 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.064 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 14' ' ' SER . 59.3 m -88.87 110.9 21.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.399 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -73.48 124.56 30.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.486 ' CG2' HG13 ' A' ' 7' ' ' VAL . 4.6 m -143.08 160.52 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -95.58 125.1 39.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 65' ' ' THR . 58.9 t -102.54 98.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -90.35 123.73 34.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.433 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -110.05 82.3 0.3 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.0 116.91 21.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.392 0.701 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.0 40.72 98.49 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.539 1.149 . . . . 0.0 111.053 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.522 ' CD1' ' N ' ' A' ' 27' ' ' GLN . 3.4 tm? -103.69 -94.65 0.32 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.62 0.835 . . . . 0.0 109.371 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.553 ' CG ' ' CD2' ' A' ' 32' ' ' TYR . 15.0 mt-30 -48.81 -21.77 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.401 1.063 . . . . 0.0 110.292 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 71.26 6.65 5.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.671 1.232 . . . . 0.0 109.363 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.58 0.54 23.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.585 1.178 . . . . 0.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -80.54 -158.86 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 0.738 . . . . 0.0 110.428 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.585 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -136.65 115.54 12.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.412 1.07 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.57 ' CD1' ' HA ' ' A' ' 99' ' ' ASP . 16.3 m-30 -122.75 163.96 19.21 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.432 1.082 . . . . 0.0 110.985 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' SER . 22.4 m-20 -88.82 119.26 29.15 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.55 ' CG2' ' CG1' ' A' ' 55' ' ' VAL . 61.0 t -78.04 131.86 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.369 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.543 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 173.42 150.62 7.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.742 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -93.93 113.97 26.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 110.278 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.72 148.38 30.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.254 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.426 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -170.06 159.75 7.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.209 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 14.9 p90 -69.92 111.72 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 108.021 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.598 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -95.07 -45.36 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.593 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -90.25 -163.32 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.402 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 m -66.46 83.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.353 1.033 . . . . 0.0 110.347 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.9 25.09 71.83 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.486 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 74.2 t -102.84 109.22 26.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 109.291 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.16 99.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.442 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . . . -110.77 140.19 45.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 16.3 m -104.4 155.6 18.65 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.538 1.149 . . . . 0.0 108.225 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.637 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -84.97 169.48 16.25 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.55 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.13 -10.25 20.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.56 13.68 29.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.4 1.062 . . . . 0.0 109.384 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.543 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -90.07 6.83 40.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 2.2 m-85 -106.62 91.38 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.472 ' CB ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -145.27 78.17 1.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 110.056 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p -45.69 139.34 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.55 ' CG1' ' CG2' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -164.0 161.33 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.585 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -132.79 158.41 42.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 110.29 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.505 ' HB3' ' CB ' ' A' ' 63' ' ' ALA . . . -106.89 152.95 23.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -66.06 158.76 27.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.234 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.61 -29.41 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 0.0 109.24 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 58' ' ' ASP . 3.5 t-20 -88.35 34.54 0.75 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.525 1.141 . . . . 0.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.59 41.45 3.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.43 1.081 . . . . 0.0 111.065 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 14.0 m -108.87 100.7 9.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 0.798 . . . . 0.0 110.037 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.505 ' CB ' ' HB3' ' A' ' 57' ' ' ALA . . . -105.19 86.86 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.355 1.035 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.8 p -88.51 76.87 8.14 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.585 1.178 . . . . 0.0 109.852 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.451 HG23 ' CG2' ' A' ' 34' ' ' VAL . 2.5 t -106.38 140.13 39.78 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 0.0 110.493 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.1 p -103.84 139.31 39.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.472 HD23 ' CB ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -145.34 168.73 19.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.2 t -104.21 133.78 48.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.373 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 81.3 t -88.44 85.95 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.684 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 2.6 mtp180 -89.5 71.74 7.95 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.518 1.137 . . . . 0.0 110.246 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 25.3 ttm180 -34.88 -33.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 1.0 OUTLIER -97.49 121.02 38.91 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.114 . . . . 0.0 110.08 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.684 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -167.62 170.04 11.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.938 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.436 ' OE1' ' CA ' ' A' ' 84' ' ' GLY . 5.0 tp10 -90.8 110.8 22.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.61 138.98 32.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.623 1.202 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.569 ' CZ ' ' HG2' ' A' ' 82' ' ' ARG . 4.6 m-85 -122.91 109.88 14.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.482 HD22 ' CG2' ' A' ' 81' ' ' THR . 0.2 OUTLIER -58.43 132.79 54.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.391 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -59.29 -22.19 60.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -53.14 61.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.357 1.036 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.22 -27.04 0.43 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.482 ' CG2' HD22 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -82.57 150.04 27.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 0.726 . . . . 0.0 110.434 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HG2' ' CZ ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -98.76 138.29 36.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.598 ' CD1' HG13 ' A' ' 40' ' ' VAL . 69.1 t-105 -100.67 -89.59 0.34 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.478 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 142.04 -81.3 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.544 ' O ' ' HB ' ' A' ' 86' ' ' VAL . 1.2 m 69.02 -57.64 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 110.358 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.544 ' HB ' ' O ' ' A' ' 85' ' ' THR . 59.9 t 75.99 -102.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.404 ' N ' HG11 ' A' ' 86' ' ' VAL . 2.6 t0 -54.64 106.83 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 44.8 t -86.43 47.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.334 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.3 t -92.87 -20.86 20.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 m -88.35 -57.12 3.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.45 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.412 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.47 148.02 23.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.171 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.96 124.12 32.05 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.426 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -90.15 121.48 32.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.474 1.109 . . . . 0.0 108.401 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.541 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 29.1 mt-30 -96.31 112.45 24.19 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.639 1.212 . . . . 0.0 110.231 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.44 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 2.5 t -87.95 126.02 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -177.14 169.53 41.85 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.63 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -106.94 113.38 26.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 0.743 . . . . 0.0 109.359 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 33' ' ' ASP . 8.9 t -98.12 164.13 12.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.923 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.57 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -52.76 163.49 0.46 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.84 -38.82 36.76 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.04 -27.84 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.227 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ASP . . . 94.42 20.29 30.16 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.555 1.159 . . . . 0.0 111.071 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -89.63 143.88 26.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.59 0.817 . . . . 0.0 109.196 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.52 123.04 5.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.56 1.163 . . . . 0.0 111.039 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 55.38 3.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.84 99.62 12.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 172.42 145.36 4.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.396 1.06 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 108' ' ' VAL . 11.2 p -105.4 130.61 56.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 O-C-N 124.438 0.728 . . . . 0.0 109.219 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.61 90.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.571 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -112.18 144.33 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.383 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.3 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.041 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.477 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 3.9 p 44.97 -137.98 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.453 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.527 ' HB3' ' CD2' ' A' ' 97' ' ' LEU . . . -79.69 133.0 36.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.594 1.184 . . . . 0.0 109.228 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.604 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.6 OUTLIER -151.19 179.46 8.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.532 ' N ' ' OG1' ' A' ' 6' ' ' THR . 0.3 OUTLIER -116.63 134.23 60.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.511 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -43.05 -57.26 5.3 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.56 1.162 . . . . 0.0 110.379 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.516 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 18.0 Cg_endo -74.99 -159.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.613 1.849 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' GLY . 50.4 m -148.66 -45.4 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.055 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 13' ' ' LEU . 67.7 m -69.37 63.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.469 ' O ' HG13 ' A' ' 69' ' ' VAL . . . -39.42 -27.55 0.09 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.525 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 4.0 pp -81.29 60.61 4.45 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.452 0.736 . . . . 0.0 109.238 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.659 ' O ' ' C ' ' A' ' 15' ' ' ASP . 41.3 t -127.43 81.8 2.04 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.618 1.199 . . . . 0.0 110.059 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.659 ' C ' ' O ' ' A' ' 14' ' ' SER . 2.1 m-20 16.73 78.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 69' ' ' VAL . . . 36.82 66.87 0.46 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.428 1.08 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.446 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 1.0 OUTLIER -73.87 124.49 26.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 110.428 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.457 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.0 OUTLIER -93.85 126.9 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.516 ' CG1' ' HG3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -149.09 -168.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.368 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -117.71 138.45 52.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.604 ' HA ' ' O ' ' A' ' 6' ' ' THR . 2.6 t -104.28 114.98 45.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.94 139.99 30.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.434 1.084 . . . . 0.0 109.119 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -118.72 101.61 0.89 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.02 104.18 16.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.353 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.52 30.23 25.01 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -90.87 -144.4 0.18 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 0.77 . . . . 0.0 109.336 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.606 ' OE1' ' CE1' ' A' ' 32' ' ' TYR . 21.0 mm-40 -51.51 89.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.81 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 74.86 7.21 80.5 Favored Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.548 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -89.81 -178.2 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.797 . . . . 0.0 110.335 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.497 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -137.23 116.67 12.79 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.121 . . . . 0.0 109.374 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.606 ' CE1' ' OE1' ' A' ' 27' ' ' GLN . 2.9 m-30 -118.45 -168.06 1.47 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.72 ' HD2' ' HA ' ' A' ' 52' ' ' PHE . 2.8 t0 -122.63 117.09 24.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 109.164 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.494 HG22 ' CG2' ' A' ' 55' ' ' VAL . 1.3 t -74.51 142.62 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.6 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 174.73 152.86 9.5 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.482 1.114 . . . . 0.0 111.064 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.463 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -94.74 101.26 13.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.3 t -106.22 149.83 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 108.333 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -177.25 159.87 1.64 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.7 p90 -64.71 114.23 4.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 108.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.675 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -97.8 -42.73 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.455 ' CB ' ' HB ' ' A' ' 44' ' ' VAL . 0.6 OUTLIER -90.9 -161.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.7 m -68.25 79.16 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.75 25.04 75.99 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.547 1.154 . . . . 0.0 110.941 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 88.1 t -103.43 110.06 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.404 0.708 . . . . 0.0 109.378 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.9 mt -58.32 102.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.06 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.546 ' CB ' ' CG1' ' A' ' 40' ' ' VAL . . . -114.23 130.16 56.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.5 m -97.03 156.34 16.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 108.405 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.599 ' ND2' ' CE1' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -85.29 163.4 45.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.526 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.98 -8.77 20.39 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.72 15.78 23.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 109.265 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.613 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.35 12.9 12.88 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.53 1.144 . . . . 0.0 109.218 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.72 ' HA ' ' HD2' ' A' ' 33' ' ' ASP . 1.1 m-85 -105.6 94.95 5.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.511 ' H ' ' HD2' ' A' ' 33' ' ' ASP . 42.4 t -145.17 81.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.079 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.9 p -45.7 133.14 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.37 1.044 . . . . 0.0 110.044 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.494 ' CG2' HG22 ' A' ' 34' ' ' VAL . 7.0 m -151.29 169.06 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.241 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.497 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -145.71 147.1 31.59 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.548 1.155 . . . . 0.0 110.39 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -107.5 146.87 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -66.49 158.24 30.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.625 1.203 . . . . 0.0 109.225 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.39 -28.01 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.443 ' N ' ' C ' ' A' ' 58' ' ' ASP . 5.1 t30 -88.66 33.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 44.6 40.6 6.51 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.638 1.211 . . . . 0.0 111.062 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.407 ' HB2' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -100.9 96.46 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 0.0 109.96 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.1 101.29 13.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.343 1.027 . . . . 0.0 109.363 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.4 m -100.16 83.8 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.373 1.045 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.46 ' CG2' HG12 ' A' ' 21' ' ' VAL . 2.6 t -106.54 167.12 10.06 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.8 p -146.81 139.32 24.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.077 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 tp -166.92 177.0 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 15.1 t -107.5 145.79 32.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.477 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 12' ' ' GLY . 15.0 p -89.0 84.88 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.457 ' CG ' HG23 ' A' ' 68' ' ' THR . 9.2 mtt180 -88.21 77.98 8.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.347 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -40.31 -39.89 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 2.2 p -83.8 115.2 22.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.599 ' CE1' ' ND2' ' A' ' 48' ' ' ASN . 7.2 p90 -159.14 155.34 27.05 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.426 1.079 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.411 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 3.5 tp10 -86.93 93.23 9.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.03 155.07 2.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -143.4 107.31 4.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 0.726 . . . . 0.0 110.99 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.413 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . 4.5 mt -48.58 129.67 16.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -54.26 -29.39 46.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.955 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -55.56 -50.79 69.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.375 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.44 -25.61 0.53 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.939 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.0 m -75.78 141.25 42.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.385 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -93.85 138.77 31.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.675 ' CD1' HG12 ' A' ' 40' ' ' VAL . 67.1 t-105 -105.13 -87.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 108.043 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.473 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 140.12 -83.01 0.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 111.072 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.492 ' O ' ' HB ' ' A' ' 86' ' ' VAL . 1.4 m 67.79 -57.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.389 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.492 ' HB ' ' O ' ' A' ' 85' ' ' THR . 61.9 t 72.34 -103.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.04 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.486 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 49.4 t -74.81 59.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 108.35 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 t -100.61 -25.05 14.3 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.364 1.04 . . . . 0.0 110.338 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 m -89.06 -47.43 8.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.76 147.02 23.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -87.89 118.01 27.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.413 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -91.93 123.22 35.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 108.257 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.463 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 8.4 mt-30 -97.7 115.59 28.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.351 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.461 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 18.3 t -87.95 105.74 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.412 1.07 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -153.09 175.31 31.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.527 ' CD2' ' HB3' ' A' ' 5' ' ' ALA . 1.4 pt? -106.9 128.1 54.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 0.815 . . . . 0.0 109.227 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 99.7 p -89.1 162.64 15.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.961 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.524 ' OD1' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -88.91 159.03 17.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.39 0.45 29.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.29 -89.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.632 1.207 . . . . 0.0 109.301 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -172.17 34.3 0.14 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.414 1.071 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.403 ' HB2' ' HD2' ' A' ' 99' ' ' ASP . 1.1 m-80 -147.65 158.45 44.01 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.578 0.811 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -171.76 65.15 0.14 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.593 1.183 . . . . 0.0 111.06 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 1.24 7.93 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.455 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -85.95 144.23 27.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 110.212 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 148.87 130.4 1.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.623 1.202 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.7 p -93.83 127.46 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.588 0.816 . . . . 0.0 109.278 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.24 88.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.617 1.198 . . . . 0.0 109.171 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.558 ' O ' ' CB ' ' A' ' 111' ' ' SER . 1.7 tt -85.37 148.84 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.4 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.941 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.801 0 N-CA-C 110.908 -0.459 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.485 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.4 p 43.88 -158.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.451 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.483 ' CB ' HD13 ' A' ' 26' ' ' LEU . . . -65.66 119.54 11.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.221 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.417 HG21 ' CG2' ' A' ' 108' ' ' VAL . 1.2 p -147.55 148.64 31.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.422 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.574 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 8.2 t -80.01 131.96 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.37 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.64 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -39.87 -63.39 0.69 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.181 . . . . 0.0 110.327 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.64 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.03 -158.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -142.18 -42.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 110.069 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 13' ' ' LEU . 75.0 m -62.8 78.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.875 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.524 ' C ' ' H ' ' A' ' 14' ' ' SER . . . -74.54 9.63 10.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.004 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.55 ' CD1' ' O ' ' A' ' 111' ' ' SER . 1.2 mt -77.02 33.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 0.731 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.524 ' H ' ' C ' ' A' ' 12' ' ' GLY . 41.3 t -125.04 75.54 1.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.479 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 8.4 p-10 -49.64 90.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 115.69 33.65 1.53 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.437 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.6 OUTLIER -91.0 117.92 29.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.429 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -88.52 118.58 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.574 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 0.9 OUTLIER -142.21 -178.25 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 9.3 tttt -109.6 132.54 54.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 6' ' ' THR . 55.4 t -107.61 103.64 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.39 1.056 . . . . 0.0 109.365 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -90.72 125.0 35.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.485 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -113.35 96.41 0.81 Allowed Glycine 0 CA--C 1.528 0.847 0 O-C-N 124.477 1.111 . . . . 0.0 110.947 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.66 118.85 34.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.352 0.678 . . . . 0.0 109.41 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.44 38.77 52.04 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.4 1.063 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.495 HD12 ' CD2' ' A' ' 97' ' ' LEU . 2.3 tt -99.06 -110.63 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 0.729 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.517 ' HB2' ' CB ' ' A' ' 57' ' ' ALA . 6.0 mp0 -44.25 -23.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.604 1.19 . . . . 0.0 110.341 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 26' ' ' LEU . . . 65.58 20.1 11.58 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.466 1.104 . . . . 0.0 109.224 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 119.17 -4.87 13.65 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -87.57 -161.92 0.75 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.572 0.807 . . . . 0.0 110.409 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.511 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -149.74 145.34 26.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 0.0 109.398 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 99' ' ' ASP . 11.3 m-85 -151.18 -170.51 3.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.563 1.164 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.501 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.3 m-20 -101.95 127.49 48.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.611 1.194 . . . . 0.0 109.396 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.478 HG12 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -91.41 150.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.257 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.571 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 165.67 157.41 9.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.442 ' HB2' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -94.33 103.6 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 0.737 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.3 t -108.22 157.53 18.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.349 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . 176.99 160.82 0.41 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.651 1.219 . . . . 0.0 109.249 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.422 ' CG ' ' O ' ' A' ' 39' ' ' TRP . 18.6 p-90 -64.24 107.71 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 108.019 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -99.79 -48.62 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.629 1.206 . . . . 0.0 109.246 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.51 ' CG ' ' N ' ' A' ' 42' ' ' THR . 1.1 t70 -93.99 169.72 10.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.226 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.51 ' N ' ' CG ' ' A' ' 41' ' ' ASP . 6.2 m -32.72 96.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 41.81 25.85 0.24 Allowed Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.412 1.07 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.481 ' CG1' HD22 ' A' ' 77' ' ' LEU . 3.4 t -102.52 116.01 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.4 0.706 . . . . 0.0 109.202 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 8.0 tp -63.39 105.09 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.17 . . . . 0.0 109.242 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -117.0 138.68 51.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.0 m -102.6 155.1 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 108.387 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.537 ' ND2' ' N ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -81.03 168.25 26.37 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 73' ' ' PHE . 18.6 Cg_endo -74.99 -11.54 21.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.2 14.46 27.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.635 1.209 . . . . 0.0 109.366 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.571 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -86.83 9.73 18.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.466 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -107.55 90.78 3.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.478 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -150.93 87.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.613 1.195 . . . . 0.0 110.044 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 53' ' ' SER . 50.5 p -35.95 152.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.885 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.461 HG23 ' CG2' ' A' ' 65' ' ' THR . 7.5 p -155.23 160.51 2.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.408 1.068 . . . . 0.0 109.238 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.511 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 2.7 m -150.81 135.31 17.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.31 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.517 ' CB ' ' HB2' ' A' ' 27' ' ' GLN . . . -105.43 127.9 53.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.601 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -49.26 160.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.36 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.79 -30.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.348 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.432 ' N ' ' C ' ' A' ' 58' ' ' ASP . 4.5 t-20 -89.0 35.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.384 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.05 41.49 3.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.581 1.176 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 1.3 m -105.55 93.87 4.9 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.406 0.709 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.86 89.34 2.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.182 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 90.6 p -98.73 82.71 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.644 1.215 . . . . 0.0 109.976 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.461 ' CG2' HG23 ' A' ' 55' ' ' VAL . 3.1 t -110.11 138.82 45.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.493 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 42.4 p -98.43 138.12 36.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.053 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -149.46 176.48 10.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.382 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 93.5 m -105.38 137.65 42.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.605 1.191 . . . . 0.0 110.402 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.0 t -92.95 87.14 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -87.46 66.45 9.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.626 1.204 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 3.5 ttm180 -40.53 -31.8 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.579 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -102.79 127.76 49.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.974 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.544 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 174.27 166.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.419 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -82.45 107.27 14.98 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.67 169.41 47.95 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.596 1.185 . . . . 0.0 110.989 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -142.3 123.17 14.38 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.395 0.703 . . . . 0.0 110.97 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.481 HD22 ' CG1' ' A' ' 44' ' ' VAL . 2.1 mp -58.83 149.02 27.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.472 ' CD1' ' N ' ' A' ' 79' ' ' ASP . 34.4 p90 -65.45 -32.57 74.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 111.07 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.472 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 23.9 t0 -46.28 -46.29 17.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.671 1.232 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 145.25 -15.06 1.88 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.3 m -90.67 153.92 19.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 110.329 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.88 140.61 29.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.489 ' CD2' ' HB2' ' A' ' 41' ' ' ASP . 46.0 t-105 -106.27 -92.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.62 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 155.23 -109.67 0.41 Allowed Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.616 1.197 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.62 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 18.7 m 90.79 -53.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.429 0.723 . . . . 0.0 110.344 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 72' ' ' SER . 60.5 t 68.08 -105.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.454 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -64.08 93.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 13.3 t -71.2 60.29 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.677 1.235 . . . . 0.0 108.294 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' ASP . 14.9 t -97.61 -19.99 17.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.09 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.5 m -87.76 -53.84 4.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.343 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.43 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.41 155.68 18.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.458 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -90.09 119.83 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.15 121.38 32.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 108.335 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 23.3 mt-30 -102.13 121.77 42.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 20.6 t -89.51 114.14 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -166.91 175.1 42.23 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.501 ' HA ' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -107.56 136.19 47.74 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.395 0.703 . . . . 0.0 109.298 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 32' ' ' TYR . 76.7 p -93.37 150.23 20.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 110.046 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.572 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -87.15 157.86 19.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.54 16.16 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.51 -15.2 15.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.6 45.31 4.65 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.57 1.169 . . . . 0.0 111.082 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.4 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 19.6 m-20 -117.82 165.3 13.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 109.277 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -106.44 102.32 1.89 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.414 1.071 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.488 ' CG ' ' O ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.97 -175.99 2.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.49 112.52 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -102.52 153.43 18.4 Favored Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.525 1.141 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.488 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 5.6 p -100.96 102.3 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.419 0.717 . . . . 0.0 109.338 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.51 85.91 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.492 1.12 . . . . 0.0 109.429 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.542 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -80.8 154.56 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.55 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.081 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.81 0 N-CA-C 110.922 -0.453 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.424 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 3.9 p 39.32 -150.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.456 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.425 ' HA ' ' HA2' ' A' ' 23' ' ' GLY . . . -70.79 129.54 39.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -137.76 141.4 40.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.451 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.561 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.3 t -77.11 120.82 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.337 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.716 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -33.07 -67.53 0.19 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.35 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.716 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.0 Cg_endo -75.04 -158.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.02 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.467 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -139.19 -45.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.412 1.07 . . . . 0.0 109.942 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.0 p -77.15 81.45 3.66 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.485 1.115 . . . . 0.0 110.034 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -73.02 1.06 42.46 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.551 ' CD2' ' O ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -66.59 62.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.618 0.834 . . . . 0.0 109.401 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -144.35 117.62 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.936 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 14' ' ' SER . 4.6 m-20 -35.49 94.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 59.5 67.3 2.23 Favored Glycine 0 CA--C 1.528 0.869 0 O-C-N 124.567 1.167 . . . . 0.0 111.055 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.489 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 2.2 m -70.01 109.83 4.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 0.728 . . . . 0.0 110.466 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.457 HG23 ' CG2' ' A' ' 68' ' ' THR . 1.6 t -84.84 112.6 22.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.587 1.179 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.473 ' CG2' HG11 ' A' ' 7' ' ' VAL . 30.1 m -138.94 -176.71 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.28 133.96 55.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.5 t -107.65 104.22 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 O-C-N 124.424 1.077 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -88.26 121.96 31.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 5' ' ' ALA . . . -102.1 127.52 9.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.572 1.17 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.44 103.57 9.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 0.0 109.226 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.16 18.11 47.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.424 1.078 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.477 ' HG ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -76.56 -142.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.637 ' NE2' ' CE1' ' A' ' 32' ' ' TYR . 10.5 mm100 -54.48 87.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.599 1.187 . . . . 0.0 110.354 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -55.7 87.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 72.68 2.21 55.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.049 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.459 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.77 -176.27 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 110.418 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.474 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -139.45 122.48 16.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.637 ' CE1' ' NE2' ' A' ' 27' ' ' GLN . 2.6 m-30 -117.77 -171.08 1.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.532 ' HD2' ' CB ' ' A' ' 98' ' ' SER . 6.0 p-10 -111.6 110.54 20.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.226 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.452 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -80.2 139.11 18.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.572 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 178.49 158.69 21.62 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.467 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.78 97.08 9.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 0.728 . . . . 0.0 110.412 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.457 ' SG ' ' CD1' ' A' ' 45' ' ' LEU . 4.5 t -106.81 155.47 19.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 108.394 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 173.54 161.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -60.58 119.03 7.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.096 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.578 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -99.62 -44.57 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.463 ' CB ' ' HB ' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -83.5 -152.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.2 t -77.92 54.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.97 -9.16 50.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.626 1.204 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.463 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 64.7 t -69.97 112.48 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.462 ' C ' ' CD1' ' A' ' 45' ' ' LEU . 1.6 tm? -60.17 112.89 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.451 ' CB ' ' HB ' ' A' ' 40' ' ' VAL . . . -126.39 137.3 53.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.7 m -105.35 152.24 23.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 108.274 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.522 ' ND2' ' N ' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -82.81 165.02 44.04 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.0 109.468 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.548 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.08 -9.43 20.66 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.499 1.789 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.49 14.83 26.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.572 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.48 8.77 23.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.548 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -105.97 93.56 4.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.943 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.486 ' CB ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -146.84 84.16 1.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.934 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' SER . 84.1 p -36.28 141.94 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.11 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.48 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 9.3 p -147.91 159.74 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 124.65 1.219 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.474 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -147.4 137.1 22.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.471 ' HB2' ' CB ' ' A' ' 63' ' ' ALA . . . -106.45 141.14 38.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.57 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -62.33 158.96 16.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.06 -28.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.439 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.4 t-20 -88.23 35.08 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.96 38.64 2.56 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.464 1.102 . . . . 0.0 111.095 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.428 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -99.32 97.35 8.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 0.745 . . . . 0.0 110.038 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 57' ' ' ALA . . . -105.67 80.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.406 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.7 p -90.54 76.73 6.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.952 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.48 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -109.57 141.51 41.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.512 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.1 p -102.39 154.03 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.486 HD13 ' CB ' ' A' ' 53' ' ' SER . 0.7 OUTLIER -158.36 166.82 31.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.648 1.218 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.457 ' CG2' HG23 ' A' ' 18' ' ' VAL . 25.9 m -106.3 138.44 42.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.3 t -88.46 83.19 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.398 1.061 . . . . 0.0 109.378 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 72' ' ' SER . 29.2 mtt180 -88.96 66.75 7.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.454 ' NH2' ' HB3' ' A' ' 13' ' ' LEU . 16.3 ttm180 -35.94 -32.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.538 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 77.5 p -89.2 107.42 19.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.59 ' CZ ' ' HB2' ' A' ' 88' ' ' CYS . 0.2 OUTLIER -157.33 165.23 36.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.612 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 29.9 tt0 -96.46 87.53 4.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.73 160.96 1.36 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.583 1.177 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.612 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 61.0 m-85 -140.83 115.65 9.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 14.1 mt -57.64 135.64 56.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.394 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -56.62 -30.15 62.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.18 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -50.95 -22.64 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.199 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.84 -16.15 12.32 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.496 1.123 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 42.1 m -88.83 133.39 34.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 0.825 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.572 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -77.77 138.81 39.21 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.503 1.127 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.578 ' CD1' HG12 ' A' ' 40' ' ' VAL . 54.5 t-105 -105.73 -87.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 108.013 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.604 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 140.66 -104.63 0.4 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.557 1.161 . . . . 0.0 111.03 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.604 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 7.6 m 89.93 -52.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 110.437 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 72' ' ' SER . 92.9 t 69.64 -104.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 89' ' ' THR . 0.4 OUTLIER -58.76 90.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.386 1.054 . . . . 0.0 109.265 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 8.8 t -71.25 60.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' ASP . 12.6 t -99.49 -19.48 16.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.346 1.029 . . . . 0.0 110.405 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.7 m -88.99 -55.35 3.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.504 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.423 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.17 154.49 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.643 1.214 . . . . 0.0 109.246 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.73 123.0 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 124.2 35.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 108.312 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 25.5 mt-30 -100.26 117.44 34.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.467 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 20.5 t -89.14 110.21 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.617 1.198 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -160.58 171.33 36.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.477 ' CD1' ' HG ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -106.4 133.53 50.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.354 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.532 ' CB ' ' HD2' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -92.97 158.73 15.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.988 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.535 ' HA ' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -79.59 160.48 26.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.77 11.57 12.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.78 -59.11 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.401 1.063 . . . . 0.0 109.25 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.43 48.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.574 1.171 . . . . 0.0 111.036 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -149.51 157.53 43.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 0.793 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.427 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -140.81 62.62 0.54 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.0 Cg_endo -75.06 -16.8 19.88 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.06 140.93 28.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.584 1.177 . . . . 0.0 110.245 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 151.87 118.36 0.78 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 0.8 OUTLIER -105.39 119.63 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.37 93.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.559 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -97.89 149.22 5.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.1 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.927 0 N-CA-C 111.075 -0.394 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.518 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 2.5 p 42.36 -152.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.396 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.416 ' HA ' ' HA2' ' A' ' 23' ' ' GLY . . . -73.16 115.49 12.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.363 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -139.38 147.86 42.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.362 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.564 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.0 t -83.34 129.23 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.414 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.74 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -37.22 -69.16 0.2 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.343 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.74 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.6 Cg_endo -74.94 -161.55 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.464 1.77 . . . . 0.0 111.095 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -136.43 -49.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.0 p -64.05 76.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.615 1.197 . . . . 0.0 109.925 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' SER . . . -64.09 -8.3 28.89 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.535 ' CD1' ' O ' ' A' ' 111' ' ' SER . 0.7 OUTLIER -70.14 56.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 0.707 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.518 ' HB3' ' CB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -132.32 115.67 15.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' SER . 20.5 p-10 -36.13 96.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.379 1.049 . . . . 0.0 109.199 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 47.09 68.6 1.1 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.59 1.181 . . . . 0.0 110.979 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.518 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -77.26 125.11 28.81 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.351 0.677 . . . . 0.0 110.354 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -96.25 115.49 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.494 ' CG1' ' HG3' ' A' ' 9' ' ' PRO . 1.7 m -137.8 -172.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -110.64 135.57 51.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 63' ' ' ALA . 83.6 t -112.47 101.95 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -88.17 125.19 34.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.518 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -112.24 81.12 0.28 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.371 1.044 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.7 124.78 32.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.374 0.69 . . . . 0.0 109.296 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 82.63 18.4 66.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.572 1.17 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -88.24 -146.84 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 0.742 . . . . 0.0 109.336 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.683 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -68.25 84.47 0.25 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.405 1.066 . . . . 0.0 110.286 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.478 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . -67.44 98.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.01 -16.4 59.46 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.42 1.075 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.566 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -92.09 -178.84 5.1 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.573 0.807 . . . . 0.0 110.437 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.499 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -157.15 156.45 32.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.683 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -152.35 -165.22 2.15 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.566 1.166 . . . . 0.0 111.034 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -104.77 112.21 25.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.495 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.8 OUTLIER -78.74 136.74 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.647 1.217 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.592 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 179.3 154.94 13.81 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.494 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.26 101.0 12.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 0.727 . . . . 0.0 110.389 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.7 t -107.03 155.12 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 177.13 163.65 0.5 Allowed 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.59 1.181 . . . . 0.0 109.233 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.514 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 28.6 p90 -63.57 109.65 1.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 108.012 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.484 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -99.87 -34.25 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.229 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.568 ' OD1' ' CD2' ' A' ' 83' ' ' TRP . 1.7 t70 -89.47 -155.15 0.34 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.505 ' O ' ' CG2' ' A' ' 42' ' ' THR . 6.3 t -80.7 53.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.358 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.76 4.13 42.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.39 1.057 . . . . 0.0 111.092 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 5.8 t -89.35 116.62 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.405 0.709 . . . . 0.0 109.437 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.6 100.02 0.25 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.499 1.124 . . . . 0.0 109.232 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.461 ' CB ' ' HB ' ' A' ' 40' ' ' VAL . . . -109.82 137.94 46.9 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.9 m -101.88 153.16 20.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 108.332 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.631 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -81.23 169.91 17.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.234 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.525 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.0 Cg_endo -74.92 -11.46 21.64 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.417 1.746 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.48 17.56 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.592 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -87.43 5.14 40.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.398 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.525 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -107.48 93.11 4.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.153 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -150.12 84.88 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' SER . 23.8 p -38.21 133.67 0.91 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.622 1.202 . . . . 0.0 109.937 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.495 ' CG2' ' HB ' ' A' ' 34' ' ' VAL . 2.5 t -140.59 159.38 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.375 1.047 . . . . 0.0 109.284 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.499 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -145.13 148.22 33.37 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.43 1.081 . . . . 0.0 110.394 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -107.44 138.04 44.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -65.05 155.13 35.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.645 1.216 . . . . 0.0 109.333 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.4 ' O ' ' HB1' ' A' ' 28' ' ' ALA . . . -42.56 -27.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.395 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.3 t-20 -88.17 32.82 0.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.383 1.052 . . . . 0.0 109.203 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.36 43.74 3.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.591 1.182 . . . . 0.0 111.037 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 58.0 m -119.0 105.19 11.19 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.482 0.754 . . . . 0.0 109.983 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -106.43 85.58 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 9.2 m -93.72 75.09 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.042 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.473 ' CG2' HG13 ' A' ' 55' ' ' VAL . 68.5 p -110.45 136.71 49.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.352 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 80.2 p -90.83 139.75 30.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.382 1.051 . . . . 0.0 110.026 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.472 ' HG ' ' CG1' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -142.67 166.97 23.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.159 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.3 m -106.22 132.55 52.15 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.554 1.159 . . . . 0.0 110.356 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.467 ' CG2' HG21 ' A' ' 17' ' ' THR . 45.5 t -89.44 85.18 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.569 1.168 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.697 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 9.6 mtt180 -86.61 60.78 6.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 39.0 ttp180 -36.36 -32.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.633 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 96.7 p -102.17 125.37 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.194 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.697 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 178.9 177.54 0.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.341 1.025 . . . . 0.0 110.897 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.434 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -93.09 105.87 17.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.383 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.77 167.17 38.49 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.548 1.155 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.541 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -142.16 117.24 10.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 0.798 . . . . 0.0 111.004 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.481 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 24.7 mt -58.72 131.0 49.58 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.5 -28.28 8.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -50.37 -53.17 31.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.5 -20.6 0.72 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.5 m -89.27 145.51 25.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.454 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -83.3 140.52 32.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.235 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.568 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 77.1 t-105 -105.82 -91.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 107.91 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.563 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 155.13 -101.3 0.2 Allowed Glycine 0 CA--C 1.532 1.133 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.563 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 17.0 m 88.43 -52.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 0.816 . . . . 0.0 110.442 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.633 ' O ' ' HA ' ' A' ' 72' ' ' SER . 99.4 t 67.9 -107.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.438 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -62.49 102.57 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.234 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 42.3 t -82.56 53.31 2.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.544 1.153 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.9 t -96.03 -22.68 17.21 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.509 1.13 . . . . 0.0 110.384 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 m -89.28 -54.17 4.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.406 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -85.72 140.18 30.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.21 119.15 22.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.43 1.081 . . . . 0.0 109.191 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.89 124.55 35.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 108.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 75.8 mt-30 -98.69 113.59 25.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.494 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 6.4 t -87.8 106.44 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -155.08 179.8 30.83 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.455 1.097 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.632 ' HG ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -106.1 143.96 33.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.767 . . . . 0.0 109.194 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' ' 32' ' ' TYR . 1.4 p -87.7 138.01 31.84 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.515 1.135 . . . . 0.0 109.957 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.72 ' HD2' ' HD2' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -75.98 159.67 30.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.216 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.99 6.73 27.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.603 1.189 . . . . 0.0 109.294 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.38 -32.1 15.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.392 1.057 . . . . 0.0 109.321 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 118.35 39.24 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.418 1.073 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -149.59 154.69 39.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.677 0.869 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.411 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -132.87 63.09 0.63 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.418 1.074 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.72 ' HD2' ' HD2' ' A' ' 99' ' ' ASP . 18.2 Cg_endo -75.09 -22.55 14.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.958 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -84.59 142.65 29.81 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.525 1.141 . . . . 0.0 110.256 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 145.62 136.42 2.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.609 1.193 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -105.5 122.15 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.368 0.687 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.67 94.28 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.492 1.12 . . . . 0.0 109.197 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.578 ' O ' ' CB ' ' A' ' 111' ' ' SER . 2.7 tp -91.01 156.39 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.578 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 N-CA-C 110.95 -0.442 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.479 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.1 p 54.61 -159.63 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 110.353 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.488 ' CB ' HD21 ' A' ' 97' ' ' LEU . . . -60.67 128.94 39.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 109.368 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -150.39 146.27 26.6 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.517 1.135 . . . . 0.0 110.476 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.573 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.0 t -74.5 123.08 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.727 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -32.52 -68.82 0.14 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.355 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.727 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.05 -159.56 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.584 1.834 . . . . 0.0 111.038 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.7 m -136.93 -49.04 0.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 110.028 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.434 ' HA ' ' HB3' ' A' ' 111' ' ' SER . 43.5 p -70.77 57.74 0.2 Allowed 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.425 1.078 . . . . 0.0 109.991 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.67 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -57.22 -13.62 10.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.373 1.046 . . . . 0.0 111.013 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.421 ' CD2' ' O ' ' A' ' 111' ' ' SER . 0.5 OUTLIER -54.77 74.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.805 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.67 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -151.06 123.69 8.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.142 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 14' ' ' SER . 20.1 p-10 -36.45 93.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 52.69 67.25 2.18 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.486 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.5 OUTLIER -74.53 128.99 36.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 110.497 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.69 118.38 38.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.226 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.422 ' CG1' ' CG ' ' A' ' 9' ' ' PRO . 1.4 m -142.7 -176.62 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -118.33 127.87 54.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.597 1.185 . . . . 0.0 109.243 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' A' ' 5' ' ' ALA . 2.7 t -99.0 96.85 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.216 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.13 135.23 33.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.479 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -117.53 120.23 4.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.36 96.73 7.14 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.501 0.765 . . . . 0.0 109.357 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.25 21.05 12.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -82.49 -141.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 0.722 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.661 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 18.9 mm-40 -51.65 89.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.75 84.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 78.12 4.69 86.61 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.509 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.2 -175.11 4.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.534 0.785 . . . . 0.0 110.408 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.531 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -139.07 114.36 9.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.661 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.3 m-30 -117.75 165.37 13.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 33.0 m-20 -91.3 127.59 36.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.684 1.24 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.505 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -100.44 137.32 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.623 1.202 . . . . 0.0 109.316 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.565 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 172.99 125.26 0.82 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.388 1.055 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.485 ' NE2' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -56.0 99.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.506 0.768 . . . . 0.0 110.213 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 3.4 t -106.67 157.86 17.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.598 1.186 . . . . 0.0 108.345 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.458 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 178.97 166.2 0.92 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 109.384 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.51 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 40.2 p90 -72.38 111.66 7.77 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.582 HG11 ' CD1' ' A' ' 83' ' ' TRP . 0.7 OUTLIER -98.16 -46.74 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.6 ' OD2' ' CH2' ' A' ' 83' ' ' TRP . 2.4 t0 -85.14 -160.72 0.52 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -67.05 80.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.62 1.2 . . . . 0.0 110.365 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.78 21.35 71.13 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.452 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 15.0 t -97.67 111.0 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -63.06 96.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.49 ' CB ' HG13 ' A' ' 40' ' ' VAL . . . -107.89 139.9 41.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.384 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.402 ' HB3' ' CG ' ' A' ' 51' ' ' ASP . 57.0 m -97.43 155.41 16.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 108.413 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.522 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 1.3 m-80 -79.68 168.2 28.17 Favored Pre-proline 0 C--N 1.323 -0.564 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.613 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -74.99 -16.73 20.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.32 15.15 26.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.571 1.17 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.647 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.75 17.09 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.389 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -105.17 87.06 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.598 1.186 . . . . 0.0 110.912 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.413 ' CB ' ' HG ' ' A' ' 67' ' ' LEU . 1.1 t -148.02 84.36 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -57.61 146.9 28.86 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.523 1.139 . . . . 0.0 109.951 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.453 HG22 ' CB ' ' A' ' 65' ' ' THR . 7.4 p -159.39 151.91 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.531 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -121.02 149.69 42.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.493 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.507 ' HB3' ' CB ' ' A' ' 63' ' ' ALA . . . -106.06 145.57 31.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.266 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.577 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -69.62 159.21 33.83 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.415 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.9 -28.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.448 1.092 . . . . 0.0 109.239 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.436 ' N ' ' C ' ' A' ' 58' ' ' ASP . 21.5 t30 -88.7 34.58 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.385 1.053 . . . . 0.0 109.268 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.72 40.65 4.02 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.505 1.128 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.7 OUTLIER -101.94 96.5 7.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 0.773 . . . . 0.0 109.985 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.507 ' CB ' ' HB3' ' A' ' 57' ' ' ALA . . . -104.03 97.75 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.9 m -101.72 93.95 5.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.889 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.463 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 7.4 t -106.05 162.36 13.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.443 ' O ' HD22 ' A' ' 67' ' ' LEU . 53.3 p -137.9 121.77 17.68 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.577 1.173 . . . . 0.0 109.955 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.443 HD22 ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -151.23 176.44 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.631 1.207 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.428 ' H ' ' CD1' ' A' ' 67' ' ' LEU . 6.2 t -105.24 137.28 43.27 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.431 1.082 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.22 84.71 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -90.14 71.47 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.421 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.528 ' NH1' ' HD2' ' A' ' 87' ' ' ASP . 19.3 ttp180 -43.4 -35.43 1.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 88.6 p -94.96 122.6 37.78 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.341 1.026 . . . . 0.0 109.985 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.522 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 169.88 167.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 110.942 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.523 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 7.6 tt0 -80.68 113.45 18.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.223 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.83 173.59 54.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CE1' ' OE1' ' A' ' 74' ' ' GLU . 7.4 m-85 -135.53 119.06 16.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.771 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 41' ' ' ASP . 59.4 mt -42.85 164.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.335 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' A' ' 79' ' ' ASP . 1.0 OUTLIER -75.61 -31.96 60.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.567 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 7.3 t0 -61.4 -56.57 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.49 -27.04 0.22 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 111.03 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.3 m -69.01 136.67 52.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 0.728 . . . . 0.0 110.459 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.408 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 27.2 ptt180 -75.57 137.14 40.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.6 ' CH2' ' OD2' ' A' ' 41' ' ' ASP . 76.9 t-105 -101.7 -88.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.54 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 141.12 -89.38 0.18 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.442 1.089 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.544 ' O ' ' HB ' ' A' ' 86' ' ' VAL . 3.2 m 70.5 -56.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.429 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.544 ' HB ' ' O ' ' A' ' 85' ' ' THR . 24.4 t 80.86 -101.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.214 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.528 ' HD2' ' NH1' ' A' ' 71' ' ' ARG . 2.0 t70 -64.95 99.4 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 9.9 t -82.89 61.63 6.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.389 1.056 . . . . 0.0 108.321 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.2 m -102.04 -13.01 17.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.366 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 m -88.06 -57.66 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -90.34 130.34 36.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.586 1.179 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.87 117.61 8.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.458 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -91.04 123.21 34.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.445 ' HB2' ' C ' ' A' ' 107' ' ' GLY . 13.7 pt20 -106.07 126.6 52.39 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 110.409 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.471 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -96.99 124.15 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.229 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -173.13 178.48 45.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.505 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.24 121.59 44.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.363 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.7 p -103.69 164.86 11.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.041 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.605 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -62.28 162.18 10.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.5 -1.06 57.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.77 -24.63 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.426 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.28 41.93 1.7 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 9.3 m-80 -150.81 165.97 31.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 0.729 . . . . 0.0 109.22 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.2 91.15 2.2 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.396 1.06 . . . . 0.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 45.27 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.84 130.26 37.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.391 1.057 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.445 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . 178.03 154.58 12.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.12 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.9 p -106.26 119.06 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.73 93.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.489 ' CG1' ' HA3' ' A' ' 12' ' ' GLY . 10.7 tp -69.86 136.3 26.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.226 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.434 ' HB3' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.895 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 4' ' ' THR . 18.6 Cg_endo . . . . . 0 N--CA 1.452 -0.96 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.508 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.3 p 46.74 -174.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.403 ' HA ' ' CA ' ' A' ' 23' ' ' GLY . . . -52.11 114.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.385 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -146.97 138.06 23.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.456 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.574 ' O ' ' O ' ' A' ' 8' ' ' THR . 9.1 p -109.68 110.35 31.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.574 ' O ' ' O ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER 48.87 167.77 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.455 1.097 . . . . 0.0 110.47 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.482 ' HD2' ' OG1' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.01 -44.57 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.389 1.731 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 11' ' ' SER . 14.4 p -94.34 -75.16 0.52 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.117 . . . . 0.0 109.849 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.518 ' N ' ' CG2' ' A' ' 8' ' ' THR . 0.6 OUTLIER 57.59 152.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 110.006 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.477 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . 82.12 -40.4 2.68 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.445 1.091 . . . . 0.0 111.067 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 12' ' ' GLY . 10.4 mt -35.17 -36.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.454 0.738 . . . . 0.0 109.286 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -126.38 123.32 37.69 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.552 1.157 . . . . 0.0 109.993 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.84 71.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.233 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 138.34 35.86 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.435 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 5.9 m -85.53 110.68 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 110.488 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 16.9 t -75.47 121.42 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.474 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -146.53 -170.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -114.25 136.39 53.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 109.372 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 6' ' ' THR . 2.3 t -108.47 79.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.96 135.95 33.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.574 1.172 . . . . 0.0 109.303 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.508 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -134.41 97.7 0.3 Allowed Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.01 125.15 47.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.612 0.83 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.09 18.26 29.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 111.055 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.412 ' CD1' ' H ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.49 -142.23 0.16 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.403 0.708 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.442 ' HB3' ' CB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -73.03 82.27 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.46 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . . . -65.91 117.36 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.49 -20.34 47.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.442 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.31 179.56 5.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.767 . . . . 0.0 110.338 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 56' ' ' THR . . . -145.31 153.36 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.708 ' CD1' ' CB ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -150.03 -169.01 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.986 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.438 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.7 OUTLIER -124.5 119.63 29.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.503 ' CG1' ' CB ' ' A' ' 53' ' ' SER . 1.0 OUTLIER -73.49 121.83 25.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' CA ' ' OD1' ' A' ' 51' ' ' ASP . . . -163.75 119.13 0.85 Allowed Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.418 1.074 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.628 ' NE2' ' HB2' ' A' ' 51' ' ' ASP . 2.7 mt-30 -54.18 87.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 110.189 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.652 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -94.2 145.04 24.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.575 1.172 . . . . 0.0 108.184 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 37' ' ' CYS . . . 166.73 165.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.552 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 15.4 m0 -64.47 89.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.616 1.198 . . . . 0.0 107.996 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.518 ' CG1' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -85.94 -39.68 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.558 ' OD1' ' CD2' ' A' ' 83' ' ' TRP . 7.6 t0 -88.68 -154.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -76.6 73.29 3.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.629 1.205 . . . . 0.0 110.437 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.2 21.3 76.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.434 1.084 . . . . 0.0 111.018 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.413 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 3.2 t -104.9 110.57 31.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.524 0.779 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.552 ' HB2' ' CD1' ' A' ' 39' ' ' TRP . 5.0 tt -65.75 83.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.382 1.051 . . . . 0.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.518 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -93.22 144.8 24.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.237 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.652 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 65.5 m -96.34 156.03 16.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.437 1.086 . . . . 0.0 108.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.479 ' CB ' HE21 ' A' ' 36' ' ' GLN . 7.9 m-80 -93.06 112.4 55.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.435 ' HD2' ' O ' ' A' ' 74' ' ' GLU . 18.2 Cg_endo -75.02 7.54 2.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.538 1.81 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.574 ' HB1' ' CD1' ' A' ' 73' ' ' PHE . . . -105.24 -8.17 18.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.628 ' HB2' ' NE2' ' A' ' 36' ' ' GLN . 11.8 t0 -110.4 -12.39 14.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.382 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -45.42 111.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.503 ' CB ' ' CG1' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -152.62 93.71 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 5.2 p -56.56 129.19 39.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.481 ' CG1' ' N ' ' A' ' 56' ' ' THR . 2.1 t -155.47 162.74 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.233 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.481 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 1.1 t -120.35 167.12 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.13 126.53 52.33 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.362 1.038 . . . . 0.0 109.243 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.671 ' O ' ' N ' ' A' ' 61' ' ' GLY . 2.5 m-20 -53.58 161.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.67 -41.36 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -88.51 37.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.201 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.671 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.76 49.14 4.1 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.457 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 75.5 m -110.99 103.41 11.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.801 . . . . 0.0 109.891 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.2 102.08 11.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.369 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.0 p -100.3 84.58 2.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.489 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 8.0 t -109.52 115.82 30.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.573 1.171 . . . . 0.0 110.423 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.3 p -88.42 137.33 32.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.046 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.429 ' CD1' ' O ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -162.56 175.64 11.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 13.7 t -105.61 134.88 48.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.436 HG11 ' N ' ' A' ' 12' ' ' GLY . 21.7 t -89.07 86.49 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.421 1.075 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' SER . 17.3 mtt-85 -90.61 69.89 6.74 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.517 1.136 . . . . 0.0 110.23 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 1.3 ttm180 -38.72 -29.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 53.8 m -98.35 110.78 23.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.322 1.014 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -177.58 163.36 1.92 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.592 1.182 . . . . 0.0 111.023 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.531 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 5.0 tt0 -75.31 125.7 29.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.57 171.35 33.31 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -135.98 117.41 14.73 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.533 0.784 . . . . 0.0 111.064 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.583 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 36.0 mt -58.05 133.59 55.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -50.34 -30.33 11.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.17 -51.38 32.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.12 -18.17 1.19 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -89.32 145.22 25.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 110.414 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -83.77 138.24 33.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.558 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 24.7 t-105 -105.46 -89.36 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.123 . . . . 0.0 107.995 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.558 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 147.65 -97.53 0.18 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.462 1.102 . . . . 0.0 110.989 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.558 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 32.7 m 80.27 -53.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 0.804 . . . . 0.0 110.433 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 72' ' ' SER . 61.9 t 70.87 -104.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.413 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -59.26 94.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 25.1 t -85.31 50.23 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 108.217 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.7 t -90.57 -17.93 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.1 t -87.95 -50.64 6.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.355 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.58 144.5 25.71 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.87 114.07 18.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.374 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.93 122.5 32.36 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.625 1.203 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 23.7 mt-30 -97.89 113.26 25.03 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.521 ' CG2' ' HG2' ' A' ' 36' ' ' GLN . 2.0 t -90.53 120.07 38.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.62 1.2 . . . . 0.0 109.377 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -172.34 173.48 45.31 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.708 ' CB ' ' CD1' ' A' ' 32' ' ' TYR . 2.7 mp -104.86 125.73 51.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 0.723 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 32' ' ' TYR . 9.1 p -105.2 155.43 19.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -58.96 162.12 4.45 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.83 2.16 35.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.634 1.209 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.87 -10.04 38.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.61 40.89 9.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -149.48 157.06 42.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.411 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.13 107.0 3.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 0.0 111.07 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 54.64 3.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.44 115.22 27.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 110.282 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.91 138.16 2.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.568 1.167 . . . . 0.0 111.054 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.461 HG11 ' CD1' ' A' ' 110' ' ' ILE . 6.5 p -105.6 128.85 59.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.228 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.01 92.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.539 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.9 OUTLIER -86.34 170.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.95 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.421 ' C ' ' CG2' ' A' ' 4' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 111.068 -0.397 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.505 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 0.6 OUTLIER 58.61 172.1 0.06 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.478 ' N ' ' HA3' ' A' ' 23' ' ' GLY . . . -50.24 121.19 5.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.445 ' CB ' HG22 ' A' ' 108' ' ' VAL . 1.1 p -144.44 147.89 33.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.521 HG12 ' CG2' ' A' ' 19' ' ' VAL . 3.3 t -75.76 106.77 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.618 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.89 -63.0 0.44 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.94 -160.19 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.608 1.846 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 11' ' ' SER . 40.6 m -90.6 -53.11 4.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.574 1.172 . . . . 0.0 109.852 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.527 ' O ' ' CB ' ' A' ' 111' ' ' SER . 4.8 p 50.95 174.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.601 1.188 . . . . 0.0 110.064 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.439 ' HA3' ' C ' ' A' ' 111' ' ' SER . . . 100.81 -53.32 0.89 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.531 ' CD1' ' O ' ' A' ' 111' ' ' SER . 1.6 mp -73.59 -8.95 58.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 0.793 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.514 ' HB3' ' OG1' ' A' ' 17' ' ' THR . 47.4 t -128.96 89.4 2.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.74 107.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 115.69 19.05 5.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.431 1.082 . . . . 0.0 111.056 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.514 ' OG1' ' HB3' ' A' ' 14' ' ' SER . 29.1 m -90.12 118.69 29.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 0.799 . . . . 0.0 110.514 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -76.37 119.87 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.521 ' CG2' HG12 ' A' ' 7' ' ' VAL . 1.0 OUTLIER -127.13 174.46 10.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -113.53 114.65 26.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.472 ' CG1' ' HB1' ' A' ' 5' ' ' ALA . 19.6 t -88.28 90.66 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.433 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -98.91 127.04 44.73 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.505 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -131.77 106.14 0.65 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.03 108.7 19.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 83.06 37.88 12.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.156 . . . . 0.0 111.063 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.459 HD13 ' CB ' ' A' ' 5' ' ' ALA . 0.8 OUTLIER -75.37 -92.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.779 . . . . 0.0 109.371 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.581 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 17.7 mm100 -91.79 19.1 6.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.199 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 76.25 -11.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.37 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.538 ' HA2' ' CB ' ' A' ' 57' ' ' ALA . . . 126.32 2.04 7.09 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 27' ' ' GLN . 2.7 m -57.92 -155.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.529 0.782 . . . . 0.0 110.48 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.558 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -134.21 111.76 10.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.581 ' CD1' ' HG3' ' A' ' 27' ' ' GLN . 2.6 m-85 -123.28 168.31 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.459 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -91.13 115.84 28.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.24 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.474 HG11 ' CB ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -79.4 141.73 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.411 1.069 . . . . 0.0 109.403 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.587 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 168.82 155.88 10.05 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.45 1.094 . . . . 0.0 110.954 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.461 ' NE2' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -94.29 98.28 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 0.801 . . . . 0.0 110.342 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 94' ' ' GLN . 7.3 t -106.74 154.75 20.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 108.236 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.417 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -178.24 168.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.603 1.189 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.513 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 68.9 p-90 -75.44 104.63 6.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 107.921 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.594 HG11 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -93.64 -49.41 12.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.429 1.081 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.507 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -86.22 -173.9 4.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.374 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -52.41 88.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.421 1.076 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 55.65 21.75 29.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.469 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 59.4 t -97.12 117.72 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.397 0.704 . . . . 0.0 109.3 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.99 99.37 1.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.483 ' CB ' HG13 ' A' ' 40' ' ' VAL . . . -111.68 138.39 48.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.533 1.146 . . . . 0.0 109.374 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.7 m -105.38 152.22 23.23 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.609 1.193 . . . . 0.0 108.322 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.554 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -77.95 170.87 14.26 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.563 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.06 -11.73 21.38 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.552 1.817 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.36 16.66 23.71 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.587 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.7 t70 -89.18 6.84 38.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.453 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.563 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -107.71 93.67 4.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.999 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.474 ' CB ' HG11 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -150.5 78.69 1.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.065 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 97.5 p -44.58 139.33 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.467 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 2.7 p -160.18 164.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.422 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.558 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -135.56 154.51 51.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.375 1.047 . . . . 0.0 110.381 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.538 ' CB ' ' HA2' ' A' ' 29' ' ' GLY . . . -100.16 144.93 28.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.613 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -58.11 160.92 4.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.333 1.02 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.49 -36.84 0.41 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -87.81 37.12 0.78 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.613 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.7 40.92 4.12 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.428 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 7.7 m -103.96 96.4 6.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.432 ' CB ' ' HB1' ' A' ' 57' ' ' ALA . . . -100.0 95.7 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 1.5 m -106.87 76.63 1.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.377 1.048 . . . . 0.0 110.011 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.467 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 7.0 t -107.86 132.42 53.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.7 p -93.71 133.69 36.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.09 164.27 30.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 t -89.41 125.49 35.17 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.456 1.097 . . . . 0.0 110.444 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.486 ' CG2' HD13 ' A' ' 110' ' ' ILE . 2.7 t -88.93 92.04 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.702 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 2.0 mtt180 -107.42 80.56 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.758 ' NH1' ' HD2' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -41.94 -40.94 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.334 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -81.48 142.92 32.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 0.0 110.036 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.702 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER 163.33 -179.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -94.3 103.72 15.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.57 153.0 52.78 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.488 1.117 . . . . 0.0 111.126 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -139.03 124.13 18.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 0.768 . . . . 0.0 110.963 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.417 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 7.9 mt -62.76 153.86 31.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -82.66 -25.67 32.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -59.89 -48.47 81.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.394 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.08 -27.54 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 1.1 m -80.18 164.56 23.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.638 0.846 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -116.94 147.88 41.87 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.351 1.032 . . . . 0.0 110.369 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.595 ' CD1' ' OG1' ' A' ' 85' ' ' THR . 49.2 t-105 -104.55 -86.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.086 . . . . 0.0 108.105 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.48 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 127.38 -79.27 0.37 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.604 1.19 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.687 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 3.3 m 68.54 -57.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.388 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.687 ' CG2' ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 83.84 -23.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.758 ' HD2' ' NH1' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -143.63 104.62 4.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.178 . . . . 0.0 109.315 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 4.1 t -90.64 64.99 5.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 108.392 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.446 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -105.39 -12.68 15.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.413 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.0 m -88.83 -60.02 2.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.434 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.03 104.33 16.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -39.72 126.14 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.621 1.2 . . . . 0.0 109.334 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.417 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -89.73 126.94 35.85 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.575 1.172 . . . . 0.0 108.359 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 23.9 mt-30 -92.38 110.62 22.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.363 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 2.5 t -88.61 108.1 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.475 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -167.82 178.25 41.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.427 1.079 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 1.6 pp -107.31 128.14 54.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 0.707 . . . . 0.0 109.17 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.566 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 26.0 t -93.22 168.87 10.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 0.0 109.933 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -85.26 158.13 20.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.404 1.065 . . . . 0.0 109.4 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.77 9.23 25.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.3 -49.69 3.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 123.04 50.23 0.22 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 105' ' ' PRO . 74.4 m-20 -111.08 146.62 36.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.584 0.814 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -31.89 93.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.489 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.3 Cg_endo -74.98 127.42 10.68 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 124.61 1.847 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.69 144.64 25.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.381 1.051 . . . . 0.0 110.247 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -143.77 169.88 25.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.618 1.199 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.445 HG22 ' CB ' ' A' ' 6' ' ' THR . 5.3 p -99.22 143.95 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.595 0.82 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.03 99.33 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.486 HD13 ' CG2' ' A' ' 69' ' ' VAL . 1.7 tt -66.68 136.09 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.531 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.386 1.054 . . . . 0.0 110.096 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.442 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.3 p 55.35 -178.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.456 ' N ' ' HA3' ' A' ' 23' ' ' GLY . . . -59.04 119.6 7.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.379 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.407 ' HA ' ' HB ' ' A' ' 108' ' ' VAL . 0.9 OUTLIER -140.47 147.59 39.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.628 1.205 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.495 HG11 ' CG2' ' A' ' 19' ' ' VAL . 5.1 t -74.77 108.21 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.581 1.176 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.62 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -38.93 -62.73 0.7 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.449 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.62 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.98 -156.65 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.602 1.843 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.4 m -92.4 -46.33 7.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 0.0 109.988 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.486 ' HB2' ' CB ' ' A' ' 69' ' ' VAL . 6.6 p 57.09 -179.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.011 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.63 -48.7 2.96 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -18.68 63.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 109.386 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -124.26 98.83 5.94 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.552 1.157 . . . . 0.0 110.115 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -61.3 79.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.529 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 127.24 36.58 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.445 ' CG2' ' CG1' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -92.29 131.72 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 0.729 . . . . 0.0 110.448 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -82.8 117.97 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.507 ' HB ' ' CD ' ' A' ' 9' ' ' PRO . 1.2 m -132.79 174.4 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 0.0 109.244 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -116.75 125.55 51.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.586 1.179 . . . . 0.0 109.175 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.5 t -97.3 84.9 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.444 1.09 . . . . 0.0 109.157 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.31 127.01 41.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.456 ' HA3' ' N ' ' A' ' 5' ' ' ALA . . . -135.05 121.7 2.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.447 1.092 . . . . 0.0 111.069 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 61' ' ' GLY . . . -106.08 121.2 43.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.266 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 101.93 0.82 51.92 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.394 1.059 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.503 HD21 ' CG ' ' A' ' 97' ' ' LEU . 6.2 tp -76.2 -136.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.385 0.697 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.614 ' OE1' ' CE1' ' A' ' 32' ' ' TYR . 38.5 mm-40 -55.18 86.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.098 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.25 93.29 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' ALA . . . 67.8 7.02 47.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.434 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.9 -176.54 4.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 0.725 . . . . 0.0 110.434 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.461 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -139.25 119.47 13.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.662 1.226 . . . . 0.0 109.15 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.614 ' CE1' ' OE1' ' A' ' 27' ' ' GLN . 2.3 m-30 -118.55 175.99 5.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.554 1.159 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.432 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 75.7 m-20 -98.31 113.1 24.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.525 HG12 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -82.02 137.56 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.542 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 172.63 156.38 12.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.427 1.079 . . . . 0.0 110.969 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -93.8 102.14 14.27 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.491 0.759 . . . . 0.0 110.395 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.5 t -106.69 148.89 27.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 108.286 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -178.93 167.84 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 45' ' ' LEU . 15.1 p-90 -68.87 111.29 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 108.028 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.564 HG11 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -95.61 -45.75 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.598 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 1.4 t0 -92.29 -155.36 0.42 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.608 ' O ' ' CG2' ' A' ' 42' ' ' THR . 1.6 t -77.55 98.86 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.0 21.51 31.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.3 t -105.97 115.62 48.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.541 0.789 . . . . 0.0 109.432 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.413 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -69.95 104.12 2.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.473 ' CB ' ' HB ' ' A' ' 40' ' ' VAL . . . -112.52 135.69 52.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.0 m -96.73 155.58 16.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 108.281 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.648 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 2.3 m120 -80.31 160.43 67.89 Favored Pre-proline 0 C--N 1.323 -0.587 0 O-C-N 124.499 1.124 . . . . 0.0 109.377 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.611 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.93 -13.36 21.59 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.55 1.816 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.42 14.02 26.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.567 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.19 13.21 11.86 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 109.367 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.611 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 4.1 m-85 -105.51 88.74 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.525 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -148.95 83.67 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.393 1.058 . . . . 0.0 110.041 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.7 p -50.9 136.56 22.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 m -142.13 168.55 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.394 1.059 . . . . 0.0 109.236 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.461 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -139.76 141.25 36.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.487 ' HB1' ' CB ' ' A' ' 63' ' ' ALA . . . -105.94 131.03 53.74 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -48.25 158.76 0.24 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.592 1.182 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.98 -29.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 58' ' ' ASP . 50.7 t30 -88.64 34.37 0.76 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.553 1.158 . . . . 0.0 109.227 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.96 42.5 6.52 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.56 1.162 . . . . 0.0 110.955 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -104.34 96.8 6.87 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 0.781 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.487 ' CB ' ' HB1' ' A' ' 57' ' ' ALA . . . -105.27 99.71 9.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 p -106.75 81.15 1.53 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.573 1.17 . . . . 0.0 110.101 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.467 HG23 ' CG2' ' A' ' 34' ' ' VAL . 3.9 t -107.49 121.04 43.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.464 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.8 p -94.65 134.58 37.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.36 179.19 8.13 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.4 t -103.82 128.87 51.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.51 ' CG1' ' CD1' ' A' ' 110' ' ' ILE . 66.0 t -88.54 89.95 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.384 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.645 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 3.1 mtt85 -94.42 73.77 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 21.3 ttp180 -34.22 -37.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 1.4 p -90.27 124.13 34.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.191 . . . . 0.0 109.968 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.648 ' CE2' ' OD1' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -171.47 168.28 6.5 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.486 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 23.3 tt0 -93.15 94.74 8.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.172 . . . . 0.0 110.245 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.58 158.26 32.42 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 3.5 m-85 -133.73 121.98 22.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.391 0.7 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 12.9 mt -51.74 146.65 7.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -67.45 -30.41 70.13 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.487 1.117 . . . . 0.0 110.932 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -55.9 -55.79 28.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.54 -26.82 0.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.417 1.073 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.7 m -76.75 144.44 39.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.417 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.508 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 8.1 ptt180 -92.6 140.87 29.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.331 1.019 . . . . 0.0 110.301 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.598 ' CE3' ' OD1' ' A' ' 41' ' ' ASP . 43.5 t-105 -104.51 -90.53 0.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.495 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 145.89 -77.92 0.25 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.547 ' OG1' ' CD1' ' A' ' 83' ' ' TRP . 3.9 m 68.89 -55.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 0.703 . . . . 0.0 110.379 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 72' ' ' SER . 90.1 t 73.03 -104.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.241 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.78 92.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.335 1.022 . . . . 0.0 109.23 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.599 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 12.2 t -77.64 58.52 1.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 108.361 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.5 t -104.72 -19.82 13.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.357 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' A' ' 91' ' ' ALA . 9.5 t -89.33 -55.21 3.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.448 ' N ' ' CG2' ' A' ' 90' ' ' THR . . . -91.27 119.14 31.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.47 120.44 9.95 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.507 ' CB ' HG22 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -91.1 128.64 37.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 108.275 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.505 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 34.7 mt-30 -97.37 110.21 22.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.321 1.013 . . . . 0.0 110.297 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.505 ' HB ' ' CG1' ' A' ' 108' ' ' VAL . 2.1 t -88.92 106.17 16.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 O-C-N 124.58 1.175 . . . . 0.0 109.253 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -162.35 174.16 38.72 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.574 1.171 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.503 ' CG ' HD21 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -105.92 116.71 32.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.507 0.769 . . . . 0.0 109.223 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.6 p -80.48 166.16 21.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 110.018 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.54 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -80.05 159.71 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.07 5.25 20.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.13 -86.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.242 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -177.77 40.81 0.09 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.478 1.111 . . . . 0.0 110.938 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.58 143.39 25.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.352 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -139.26 74.15 0.39 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.634 1.209 . . . . 0.0 110.818 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -26.96 10.41 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.771 . . . . 0.0 111.04 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -84.6 142.82 29.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.177 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.51 112.08 0.26 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.505 ' CG1' ' HB ' ' A' ' 95' ' ' VAL . 4.3 p -70.5 155.56 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.207 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -87.2 104.67 16.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.51 ' CD1' ' CG1' ' A' ' 69' ' ' VAL . 3.7 tt -65.8 119.97 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.442 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.957 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.403 ' O ' ' OG1' ' A' ' 4' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.453 ' O ' ' O ' ' A' ' 22' ' ' ALA . 1.9 p 57.94 -149.24 0.46 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 110.488 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.471 ' CB ' HD11 ' A' ' 97' ' ' LEU . . . -80.6 114.93 19.84 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.42 1.075 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.1 p -140.08 150.24 44.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.628 1.205 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.625 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.4 t -83.87 132.7 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.401 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.798 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -30.48 -73.41 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.798 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.8 Cg_endo -74.81 -158.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.496 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -146.61 -68.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 110.133 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.0 t -105.2 160.73 14.86 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.501 1.126 . . . . 0.0 110.043 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.77 19.08 57.13 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 mt -88.75 145.55 25.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 0.725 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -134.76 164.69 26.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.482 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 13.8 p-10 -59.67 88.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.77 23.7 0.95 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.581 1.176 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.408 ' HB ' ' HB ' ' A' ' 69' ' ' VAL . 36.2 m -87.54 104.37 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.276 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 t -78.97 124.89 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.446 1.091 . . . . 0.0 109.366 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.494 HG11 ' CG ' ' A' ' 9' ' ' PRO . 23.5 m -151.82 169.88 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -102.63 135.46 44.22 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 6' ' ' THR . 30.3 t -109.33 103.99 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.61 126.72 35.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.419 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -114.58 82.8 0.32 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.424 1.077 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.85 132.88 34.35 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 66.18 14.57 61.83 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.572 1.17 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -83.07 -142.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.607 ' NE2' ' CZ ' ' A' ' 32' ' ' TYR . 8.2 mm100 -47.32 90.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.62 89.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.225 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 70.21 8.15 61.43 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.624 1.202 . . . . 0.0 111.0 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.582 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.12 177.31 6.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 0.0 110.416 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.528 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -141.83 114.15 8.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.21 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.607 ' CZ ' ' NE2' ' A' ' 27' ' ' GLN . 7.2 m-30 -116.35 -169.58 1.64 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 111.037 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.528 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -107.5 111.05 23.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -77.81 139.31 18.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.565 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 170.67 159.57 16.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.403 1.064 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -94.9 102.35 14.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 110.265 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.454 ' SG ' ' CD2' ' A' ' 45' ' ' LEU . 1.4 t -106.05 148.63 27.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -179.99 167.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.507 ' HA ' ' HA ' ' A' ' 45' ' ' LEU . 41.4 p-90 -76.9 116.33 17.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 108.055 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.472 HG22 ' CG2' ' A' ' 85' ' ' THR . 0.3 OUTLIER -105.51 -43.92 7.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.604 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -83.25 -162.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.37 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -65.14 80.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.98 22.62 66.89 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.501 1.126 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' TRP . 36.7 t -100.07 114.67 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.779 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 9.3 tt -66.72 101.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -112.63 139.61 48.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 55.7 m -98.59 157.05 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 108.384 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.451 ' O ' ' HB3' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -83.07 165.51 40.71 Favored Pre-proline 0 C--N 1.323 -0.573 0 O-C-N 124.429 1.08 . . . . 0.0 109.204 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.585 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 17.9 Cg_endo -75.01 -20.71 16.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.39 13.36 35.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.415 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.565 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -89.15 6.59 39.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.368 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.1 m-85 -106.61 84.91 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' SER . 1.3 t -144.48 87.55 1.88 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' SER . 60.3 p -35.23 148.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.931 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.505 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 7.3 p -152.93 156.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.388 1.055 . . . . 0.0 109.239 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.528 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -146.68 134.89 21.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 0.0 110.362 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.481 ' HB3' ' CB ' ' A' ' 63' ' ' ALA . . . -99.93 133.62 44.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -51.85 159.62 0.81 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.9 -28.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 109.248 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.425 ' N ' ' C ' ' A' ' 58' ' ' ASP . 49.0 t30 -88.58 32.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.85 46.23 7.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.402 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 1.6 m -114.54 98.18 6.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 0.766 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 57' ' ' ALA . . . -107.27 84.23 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.3 p -93.54 81.4 4.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.505 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 1.8 t -108.78 135.69 49.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.414 1.072 . . . . 0.0 110.454 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.1 p -98.16 137.5 36.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.592 1.183 . . . . 0.0 110.046 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.53 168.11 28.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.211 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.7 m -99.76 140.5 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.36 1.038 . . . . 0.0 110.42 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.529 ' CG1' ' NH2' ' A' ' 71' ' ' ARG . 57.3 t -89.12 85.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -88.66 78.93 7.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.162 . . . . 0.0 110.351 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.529 ' NH2' ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -61.57 -23.49 66.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 38.0 t -103.41 125.99 50.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.962 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' HB3' ' CG ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 165.85 -176.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.524 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 8.6 tt0 -87.04 115.29 24.32 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.443 1.09 . . . . 0.0 110.355 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.68 166.5 30.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.579 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 2.6 m-85 -132.63 121.59 23.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 0.752 . . . . 0.0 111.049 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.521 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -43.99 166.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.601 1.188 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.503 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -71.46 -23.5 61.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.947 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.13 -58.79 4.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.412 1.07 . . . . 0.0 109.276 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.28 -25.87 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.32 144.21 53.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.472 0.748 . . . . 0.0 110.373 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.579 ' HG2' ' CD2' ' A' ' 76' ' ' PHE . 18.0 mtt180 -78.19 129.47 35.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.334 1.021 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.604 ' CE3' ' OD2' ' A' ' 41' ' ' ASP . 60.8 t-105 -92.87 -87.76 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.524 ' O ' ' HA ' ' A' ' 74' ' ' GLU . . . 170.03 -52.81 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.616 1.197 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.472 ' CG2' HG22 ' A' ' 40' ' ' VAL . 17.4 m 66.38 -60.95 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 0.728 . . . . 0.0 110.376 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' GLY . 76.2 t 66.21 -86.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -118.56 100.75 7.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 29.4 t -85.0 48.94 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.644 1.215 . . . . 0.0 108.267 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 t -90.42 -23.54 21.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.611 1.194 . . . . 0.0 110.389 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 m -88.11 -39.23 14.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.419 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -91.07 126.92 36.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.075 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.34 103.5 2.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.397 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.473 ' HB2' ' NH1' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -79.55 122.88 27.04 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.522 1.139 . . . . 0.0 108.138 -179.844 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 21.3 mt-30 -89.92 114.52 26.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.438 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 4.6 t -86.78 108.08 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.151 . . . . 0.0 109.221 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -164.42 178.81 39.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.504 1.127 . . . . 0.0 111.032 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.528 ' HA ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -106.04 144.46 32.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 0.794 . . . . 0.0 109.219 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.1 p -105.5 144.33 32.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.071 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.447 ' HA ' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -66.19 161.27 22.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.26 14.79 10.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.16 -37.85 8.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.641 1.213 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.03 50.68 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.414 1.071 . . . . 0.0 111.045 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 81.6 m-20 -148.65 154.0 39.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 0.798 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -139.02 69.36 0.48 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.566 1.166 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -37.31 2.06 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.48 1.779 . . . . 0.0 111.063 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.67 141.6 34.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.177 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 149.51 119.57 0.99 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.9 p -104.5 123.29 58.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 0.766 . . . . 0.0 109.395 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.44 87.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.362 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.598 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -100.95 159.6 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.532 1.145 . . . . 0.0 109.157 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.0 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.046 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.49 ' HG2' ' CG2' ' A' ' 6' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 111.064 -0.398 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.48 ' O ' ' O ' ' A' ' 22' ' ' ALA . 30.0 p 46.53 -120.59 1.04 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.13 . . . . 0.0 110.364 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.466 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -87.04 118.6 26.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.49 ' CG2' ' HG2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -131.7 144.84 51.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.366 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.505 HG21 ' CG2' ' A' ' 19' ' ' VAL . 3.9 t -95.21 123.33 47.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.362 1.039 . . . . 0.0 109.253 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.739 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -59.87 -69.66 0.52 Allowed Pre-proline 0 N--CA 1.451 -0.39 0 O-C-N 124.517 1.136 . . . . 0.0 110.488 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.739 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.98 56.65 4.31 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.455 1.766 . . . . 0.0 111.032 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 t -89.31 4.19 49.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' GLY . 5.0 t -100.56 135.74 41.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.915 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 33.38 50.02 0.51 Allowed Glycine 0 CA--C 1.527 0.843 0 O-C-N 124.648 1.218 . . . . 0.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.525 ' CD2' HG13 ' A' ' 110' ' ' ILE . 1.3 pp -75.21 -178.24 3.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.357 0.681 . . . . 0.0 109.2 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -134.77 150.6 50.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.38 86.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.49 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 120.17 31.86 1.24 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.117 . . . . 0.0 110.923 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.04 132.82 39.5 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.522 0.778 . . . . 0.0 110.417 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.82 108.31 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.586 1.179 . . . . 0.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.616 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 33.6 m -114.13 157.0 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.181 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -103.59 114.19 28.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 6' ' ' THR . 13.1 t -92.41 98.31 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.48 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.05 112.38 23.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 5' ' ' ALA . . . -90.92 94.71 2.0 Allowed Glycine 0 CA--C 1.532 1.133 0 O-C-N 124.406 1.066 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.43 90.5 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 0.812 . . . . 0.0 109.232 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.529 ' O ' ' O ' ' A' ' 26' ' ' LEU . . . 96.71 38.32 4.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.143 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.542 ' CD1' ' CD2' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -56.98 -141.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.431 0.724 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.509 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . 5.5 tp60 -84.91 41.05 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 75.47 -9.69 1.37 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.399 1.062 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.554 ' HA2' ' CB ' ' A' ' 57' ' ' ALA . . . 127.13 2.49 6.5 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.507 1.13 . . . . 0.0 111.102 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 27' ' ' GLN . 3.0 m -58.51 -152.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 110.371 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.511 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -133.37 131.85 40.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.543 ' CD2' HD11 ' A' ' 97' ' ' LEU . 3.1 m-85 -129.21 -166.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 4.3 t70 -128.39 119.9 25.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.463 ' CG2' HG13 ' A' ' 55' ' ' VAL . 97.8 t -77.37 122.46 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.403 ' N ' ' OD1' ' A' ' 51' ' ' ASP . . . -162.51 115.71 0.67 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.481 1.113 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.574 HE21 ' CB ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -73.57 100.78 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.242 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -99.22 152.0 20.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 108.279 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.506 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 172.59 163.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 38.6 p-90 -62.74 82.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.477 ' CG1' ' HB1' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -75.61 -40.38 40.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.088 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.609 ' CG ' ' CE3' ' A' ' 83' ' ' TRP . 6.8 t0 -90.64 -152.72 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.264 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.448 ' O ' ' CG2' ' A' ' 42' ' ' THR . 1.3 m -77.7 70.0 4.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.596 1.185 . . . . 0.0 110.455 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.23 22.03 61.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' ALA . 22.4 t -105.4 109.36 27.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.59 80.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.477 ' HB1' ' CG1' ' A' ' 40' ' ' VAL . . . -92.68 146.14 23.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 25.1 m -98.63 154.17 18.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.599 1.187 . . . . 0.0 108.28 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.574 ' CB ' HE21 ' A' ' 36' ' ' GLN . 2.7 m-80 -99.21 124.5 44.83 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.56 ' CD ' ' O ' ' A' ' 74' ' ' GLU . 18.3 Cg_endo -74.97 6.73 3.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.462 1.769 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . . . -99.71 -1.56 37.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.546 ' HB2' ' CD ' ' A' ' 36' ' ' GLN . 8.5 t70 -114.69 -16.85 11.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.248 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.429 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 3.3 m-85 -52.45 101.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 111.051 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.69 102.63 2.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 30.4 p -49.57 148.4 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.527 HG22 ' CB ' ' A' ' 65' ' ' THR . 5.6 p -155.6 166.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.511 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -144.27 155.3 43.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.432 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.554 ' CB ' ' HA2' ' A' ' 29' ' ' GLY . . . -105.48 146.51 29.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.407 1.067 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -61.74 161.12 10.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.205 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -39.02 -36.38 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -88.46 36.72 0.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.14 42.67 5.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 2.6 m -106.21 96.42 6.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.436 ' CB ' ' HB1' ' A' ' 57' ' ' ALA . . . -102.3 74.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 p -92.07 75.07 5.5 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.527 ' CB ' HG22 ' A' ' 55' ' ' VAL . 83.9 m -109.85 143.46 39.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.4 p -109.86 134.39 52.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.076 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.72 -179.42 6.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.2 t -105.48 122.62 46.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.467 ' CG2' HG22 ' A' ' 110' ' ' ILE . 8.2 p -88.26 92.66 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 109.229 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.49 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 13.4 mmt180 -88.57 71.0 8.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.406 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 7.4 ttp180 -41.23 -32.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' ' 73' ' ' PHE . 56.8 m -93.94 123.72 37.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.096 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 50' ' ' ALA . 0.6 OUTLIER 174.49 179.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' ' 49' ' ' PRO . 2.5 tp10 -85.55 111.45 20.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.25 153.09 33.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.15 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -128.6 126.49 40.36 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 0.796 . . . . 0.0 111.013 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.442 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 3.9 mt -64.69 140.77 58.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.202 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 78' ' ' PHE . 3.9 p90 -70.17 -27.3 64.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.161 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -54.53 -50.97 66.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.33 -27.2 0.25 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.387 1.055 . . . . 0.0 111.032 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.3 m -85.46 164.35 17.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.407 0.71 . . . . 0.0 110.369 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 35.5 ptt180 -114.31 145.59 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.609 ' CE3' ' CG ' ' A' ' 41' ' ' ASP . 59.8 t-105 -104.79 -90.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 108.04 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 143.59 -68.21 0.43 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.509 ' C ' ' CG2' ' A' ' 86' ' ' VAL . 1.6 m 67.72 -59.63 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.749 . . . . 0.0 110.353 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.509 ' CG2' ' C ' ' A' ' 85' ' ' THR . 2.6 t 84.7 -46.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -130.3 106.14 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 48.5 t -90.81 42.37 1.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.567 1.167 . . . . 0.0 108.32 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 66.6 m -87.4 -17.62 31.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.5 m -87.97 -52.07 5.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.065 . . . . 0.0 110.477 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.416 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -89.15 129.57 35.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.396 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.88 114.86 3.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.586 1.179 . . . . 0.0 109.228 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.506 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -89.57 126.73 35.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.283 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 39.0 mt-30 -96.84 110.79 23.21 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 39.8 t -89.36 121.69 39.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.69 169.76 40.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.543 HD11 ' CD2' ' A' ' 32' ' ' TYR . 2.0 pp -106.65 125.32 50.85 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 0.792 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.537 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 87.7 p -100.02 166.35 11.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -79.11 160.73 26.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.643 1.214 . . . . 0.0 109.222 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.49 13.31 12.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.7 -61.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 154.08 49.85 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.566 1.166 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -139.68 148.73 42.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -118.64 110.34 1.91 Allowed Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.503 1.127 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.358 1.031 0 O-C-N 124.619 1.852 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.12 139.91 35.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.445 1.09 . . . . 0.0 110.331 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -115.59 167.74 12.47 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.461 1.1 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.8 p -104.16 121.98 56.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 109.276 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.7 93.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.646 1.216 . . . . 0.0 109.419 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.615 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -81.33 137.73 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.372 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 3.2 p . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.483 1.115 . . . . 0.0 110.069 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.838 0 N-CA-C 110.91 -0.458 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 2.9 p 47.0 -142.54 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.639 1.212 . . . . 0.0 110.434 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.491 ' N ' HD11 ' A' ' 26' ' ' LEU . . . -84.34 124.51 31.35 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.611 1.194 . . . . 0.0 109.316 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -144.54 145.19 31.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.497 ' CG1' ' HB ' ' A' ' 19' ' ' VAL . 2.3 t -88.37 120.33 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.768 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -54.22 -70.42 0.29 Allowed Pre-proline 0 N--CA 1.451 -0.376 0 O-C-N 124.414 1.072 . . . . 0.0 110.463 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.768 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.05 56.12 4.18 Favored 'Trans proline' 0 C--N 1.362 1.251 0 O-C-N 124.402 1.738 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 111' ' ' SER . 83.5 p -89.17 23.11 2.56 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.389 1.056 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -112.29 128.34 56.24 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.643 1.214 . . . . 0.0 110.099 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' SER . . . 36.45 50.59 1.34 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.483 ' CD2' HG22 ' A' ' 69' ' ' VAL . 4.7 mp -53.53 -175.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 0.717 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.7 t -143.0 152.38 41.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.95 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -52.84 87.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 101.41 46.63 1.65 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -92.12 127.06 37.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.453 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.33 111.63 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.569 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 31.5 m -120.07 162.15 18.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -113.82 115.17 27.34 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.419 1.074 . . . . 0.0 109.209 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.4 t -90.77 93.87 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.376 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -88.17 121.03 30.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -104.5 122.04 7.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.578 1.174 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.45 100.94 7.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.63 24.97 26.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.517 ' CD2' HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -90.27 -146.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.577 ' OE1' ' CE1' ' A' ' 32' ' ' TYR . 17.5 mm-40 -45.23 91.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -61.68 85.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.597 1.186 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 77.9 6.21 87.12 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.582 1.177 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.55 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.74 -176.95 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.667 0.863 . . . . 0.0 110.44 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.515 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -142.68 122.67 13.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CE1' ' OE1' ' A' ' 27' ' ' GLN . 3.8 m-30 -118.13 -178.14 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.049 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 23.9 t0 -98.14 112.9 24.7 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -85.66 141.81 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.615 1.197 . . . . 0.0 109.287 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.531 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 162.86 156.16 8.41 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.471 1.107 . . . . 0.0 111.053 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.545 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -92.5 100.46 13.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 0.0 110.352 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.58 153.47 21.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.594 1.184 . . . . 0.0 108.327 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 176.62 166.17 0.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.369 1.043 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.472 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 34.0 p-90 -76.66 108.84 9.95 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 41' ' ' ASP . 0.4 OUTLIER -97.99 -45.28 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.608 ' OD2' ' CZ2' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -86.41 -162.78 0.8 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.7 m -61.32 79.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.396 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 61.91 24.76 65.1 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.61 1.194 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 39' ' ' TRP . 84.6 t -97.56 108.15 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.424 0.72 . . . . 0.0 109.246 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -65.5 90.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.484 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -103.75 146.64 28.32 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.56 1.163 . . . . 0.0 109.224 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.4 m -105.73 153.58 21.66 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.456 1.097 . . . . 0.0 108.416 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.587 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -76.61 167.91 32.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.54 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -74.98 -16.71 20.1 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.542 1.811 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.462 ' CB ' ' HD2' ' A' ' 70' ' ' ARG . . . -105.01 12.64 32.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.595 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -90.46 10.92 23.3 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.627 1.205 . . . . 0.0 109.262 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -107.65 84.18 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.94 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.522 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 0.6 OUTLIER -150.16 86.9 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.8 p -56.38 134.23 53.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.048 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.479 ' CG1' ' OG1' ' A' ' 65' ' ' THR . 35.8 m -129.26 168.54 22.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.515 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -139.3 138.02 36.34 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.456 1.098 . . . . 0.0 110.439 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.499 ' HB1' ' CB ' ' A' ' 63' ' ' ALA . . . -101.34 133.55 45.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.583 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -53.88 158.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.18 -29.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.244 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.438 ' N ' ' C ' ' A' ' 58' ' ' ASP . 14.9 t-20 -88.82 34.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.91 40.91 5.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -99.2 93.47 5.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.413 0.714 . . . . 0.0 110.027 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.499 ' CB ' ' HB1' ' A' ' 57' ' ' ALA . . . -100.01 84.66 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 p -97.28 79.31 2.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.479 ' OG1' ' CG1' ' A' ' 55' ' ' VAL . 6.3 t -109.05 131.42 55.09 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.4 p -109.47 136.59 48.64 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.394 1.059 . . . . 0.0 110.04 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.38 175.15 12.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.228 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.423 ' CG2' ' C ' ' A' ' 16' ' ' GLY . 5.3 m -102.48 135.95 43.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.443 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.495 ' CG2' HG23 ' A' ' 19' ' ' VAL . 43.0 t -89.29 87.9 2.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.664 1.227 . . . . 0.0 109.385 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.462 ' HD2' ' CB ' ' A' ' 50' ' ' ALA . 13.5 mtt-85 -93.79 101.83 13.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 71' ' ' ARG . 4.2 ttm-85 -78.49 -26.83 46.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.613 1.196 . . . . 0.0 110.277 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.538 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -99.44 113.78 26.33 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.454 1.096 . . . . 0.0 109.993 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.533 ' HB3' ' CG ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 172.1 -175.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 49' ' ' PRO . 1.2 tt0 -91.15 123.48 34.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 110.227 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.407 ' HA3' ' OG1' ' A' ' 85' ' ' THR . . . -103.94 164.37 15.19 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.501 1.126 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.484 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 46.2 m-85 -121.28 135.76 55.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.582 0.813 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.547 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 36.5 mt -47.6 174.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 7.4 p90 -80.31 -25.21 39.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.481 ' HD2' HD11 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -74.53 -55.81 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.22 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 165.64 -28.95 0.2 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.364 1.04 . . . . 0.0 111.048 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 19.1 m -66.31 133.47 50.62 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.426 0.721 . . . . 0.0 110.271 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.408 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -68.05 135.61 52.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.608 ' CZ2' ' OD2' ' A' ' 41' ' ' ASP . 35.6 t-105 -102.57 -91.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 177.15 -47.77 0.1 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.403 1.064 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 1.9 m 65.38 -66.2 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 0.805 . . . . 0.0 110.406 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 72' ' ' SER . 77.7 t 64.48 -102.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.41 105.03 17.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.473 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 39.3 t -89.75 39.64 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 108.385 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.9 t -88.83 -21.45 23.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.387 1.054 . . . . 0.0 110.425 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.9 m -88.43 -47.95 7.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.613 1.196 . . . . 0.0 110.416 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -90.02 106.65 18.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -49.25 116.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.47 126.57 33.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 108.363 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 33.6 mt-30 -98.98 110.54 23.14 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.545 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 36.8 t -87.42 114.85 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.332 1.02 . . . . 0.0 109.31 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -167.23 174.33 42.44 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.614 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -108.51 113.05 25.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.217 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.4 p -83.57 155.84 23.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.964 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.509 ' HA ' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -42.79 163.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.149 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.25 -21.49 65.22 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.392 1.057 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.16 -8.79 52.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.227 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.84 28.49 50.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.665 1.228 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.408 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 12.6 p30 -146.25 156.04 43.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.799 . . . . 0.0 109.229 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.77 148.75 4.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.57 1.169 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.1 -12.6 21.33 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.479 1.778 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.63 109.8 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.54 137.26 3.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.583 1.177 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 95' ' ' VAL . 12.0 p -103.94 127.23 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.9 93.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.48 ' CD1' HG23 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -70.1 126.19 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.394 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.482 ' C ' HD11 ' A' ' 13' ' ' LEU . 12.1 m . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.112 . . . . 0.0 109.93 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.415 ' HG2' HG22 ' A' ' 6' ' ' THR . 17.8 Cg_endo . . . . . 0 N--CA 1.452 -0.949 0 N-CA-C 110.924 -0.452 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 4.4 p 51.58 -139.83 0.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.577 1.173 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.504 ' CB ' HD22 ' A' ' 97' ' ' LEU . . . -75.22 115.75 15.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.415 HG22 ' HG2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -142.24 142.86 32.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.37 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.609 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 1.2 t -79.18 143.31 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.485 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.53 -56.02 1.38 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.426 1.079 . . . . 0.0 110.397 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.88 -171.88 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.382 1.728 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.9 p -151.56 -60.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.65 159.31 35.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.42 28.36 67.91 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.424 1.078 . . . . 0.0 110.955 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.535 ' CD2' HG22 ' A' ' 110' ' ' ILE . 0.8 OUTLIER -78.41 174.98 10.71 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.411 0.712 . . . . 0.0 109.375 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.512 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 3.7 t -128.31 153.24 47.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.404 1.065 . . . . 0.0 109.999 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.5 56.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 163.17 31.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.415 ' O ' ' HB ' ' A' ' 69' ' ' VAL . 8.6 m -91.74 102.89 15.51 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.469 0.746 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.539 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.6 p -93.48 128.15 45.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.404 1.065 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.609 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 33.2 m -152.35 -161.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.575 1.172 . . . . 0.0 109.369 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 5.8 pttm -113.96 140.74 48.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 6' ' ' THR . 2.5 t -111.64 107.22 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.231 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.24 129.26 35.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 5' ' ' ALA . . . -108.31 100.01 1.4 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.0 104.74 16.77 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.552 0.795 . . . . 0.0 109.36 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.7 32.62 14.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.604 1.19 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.47 HD22 ' CB ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -80.68 -141.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.736 . . . . 0.0 109.227 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.643 ' CG ' ' CZ ' ' A' ' 32' ' ' TYR . 10.3 mm100 -76.9 73.06 3.51 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.602 1.189 . . . . 0.0 110.407 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.403 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . . . -58.83 87.14 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 115.71 -30.59 6.55 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.486 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -92.68 -171.04 2.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 110.405 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 56' ' ' THR . . . -150.49 140.99 22.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.401 1.063 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.643 ' CZ ' ' CG ' ' A' ' 27' ' ' GLN . 9.4 m-30 -123.68 -169.82 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 111.013 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.487 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 5.7 t0 -123.52 118.9 28.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.744 ' CG1' ' HD2' ' A' ' 51' ' ' ASP . 2.5 t -71.37 129.8 35.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.621 1.201 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.529 ' CA ' ' OD1' ' A' ' 51' ' ' ASP . . . -172.7 114.38 0.52 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.429 1.081 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.652 ' NE2' ' HB2' ' A' ' 51' ' ' ASP . 2.6 mt-30 -55.34 88.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -98.68 147.33 24.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 37' ' ' CYS . . . 166.9 172.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.372 1.045 . . . . 0.0 109.216 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.405 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 9.1 p90 -69.63 86.33 0.47 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.522 ' CG1' ' HB2' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -86.33 -49.7 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.206 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.536 ' HB2' ' CG ' ' A' ' 83' ' ' TRP . 1.2 t70 -91.78 170.87 9.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.186 . . . . 0.0 109.219 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.526 ' N ' ' CG ' ' A' ' 41' ' ' ASP . 27.9 m -33.66 94.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.597 1.186 . . . . 0.0 110.36 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 44.12 25.66 0.74 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 111.065 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 39' ' ' TRP . 2.6 t -103.8 121.82 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.543 0.79 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.9 OUTLIER -74.97 88.12 2.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.522 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . . . -96.93 146.86 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 59.3 m -102.89 155.18 18.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.508 ' CB ' HE21 ' A' ' 36' ' ' GLN . 9.7 m-80 -92.49 110.64 46.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.381 1.051 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.567 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 17.9 Cg_endo -74.98 7.54 2.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.591 1.838 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.628 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . . . -105.95 -4.08 21.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.234 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.744 ' HD2' ' CG1' ' A' ' 34' ' ' VAL . 10.5 t0 -113.83 2.6 15.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -58.25 107.85 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.461 ' CB ' HD23 ' A' ' 67' ' ' LEU . 38.9 t -153.62 96.71 2.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 12.4 p -60.02 132.4 53.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.49 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 1.7 p -147.24 161.2 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -122.03 158.72 28.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.344 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -105.48 137.76 42.79 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -67.74 156.47 36.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.415 1.072 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.06 -34.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.405 1.065 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -87.42 36.99 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 39.13 41.5 1.42 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -102.72 101.47 11.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 0.0 109.991 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.87 78.26 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.6 p -90.35 78.08 6.5 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.4 1.063 . . . . 0.0 109.915 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.49 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 15.0 t -108.33 129.14 55.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.548 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.463 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 19.6 p -98.17 147.93 24.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -158.58 -178.68 7.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.207 -179.913 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.539 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 9.6 t -106.26 128.92 54.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 13' ' ' LEU . 60.0 t -88.54 88.41 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -107.98 79.37 1.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.47 ' NH2' ' OE1' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -47.72 -25.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.36 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.51 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 10.2 p -92.32 112.21 24.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.628 ' CD2' ' CB ' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -179.61 162.14 1.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.594 1.184 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.531 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 5.9 tt0 -82.81 113.59 20.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.39 163.72 37.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.403 1.064 . . . . 0.0 111.036 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.59 ' CZ ' ' HG2' ' A' ' 82' ' ' ARG . 2.2 m-85 -119.71 121.73 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.724 . . . . 0.0 110.997 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.504 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 39.4 mt -41.67 161.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -75.9 -27.7 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 111.041 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -66.38 -54.8 20.21 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.06 -28.18 0.22 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.4 m -67.68 157.81 33.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 0.0 110.349 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.59 ' HG2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -90.46 135.44 33.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.63 1.206 . . . . 0.0 110.281 179.939 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.536 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 65.7 t-105 -101.93 -89.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.531 ' HA2' ' CG ' ' A' ' 74' ' ' GLU . . . 144.21 -81.15 0.22 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.607 1.192 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.482 ' O ' ' HB ' ' A' ' 86' ' ' VAL . 2.0 m 67.54 -57.4 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 72' ' ' SER . 59.0 t 72.1 -103.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -64.51 96.6 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.059 . . . . 0.0 109.35 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 16.1 t -87.83 46.6 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 108.375 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 74.8 m -85.92 -22.19 27.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.496 1.122 . . . . 0.0 110.415 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.1 m -89.47 -44.45 10.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.627 1.205 . . . . 0.0 110.367 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.428 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -88.02 142.75 27.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.0 87.67 6.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.409 1.068 . . . . 0.0 109.233 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.436 ' HA ' ' HB1' ' A' ' 38' ' ' ALA . 63.3 m -67.84 133.89 49.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 108.394 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 33.0 mt-30 -97.85 115.61 28.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.9 t -88.34 125.73 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.398 1.061 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -178.55 174.46 46.67 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.567 ' CD1' ' HB2' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -105.69 129.6 53.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 0.719 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.529 ' CB ' ' HB3' ' A' ' 105' ' ' PRO . 84.4 p -104.79 165.06 11.33 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.498 1.123 . . . . 0.0 110.095 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.591 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -86.05 158.91 19.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.393 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.79 13.1 15.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 109.32 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.86 -47.28 3.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.42 51.61 0.28 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 105' ' ' PRO . 82.2 m-20 -113.87 146.08 40.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 0.761 . . . . 0.0 109.364 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -31.66 93.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.817 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.529 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 18.2 Cg_endo -75.06 151.17 38.92 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.488 1.783 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.25 150.36 21.36 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 179.926 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -176.78 138.65 4.09 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 110' ' ' ILE . 2.2 p -105.69 120.58 56.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.587 0.816 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.61 82.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.392 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.614 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.9 OUTLIER -84.78 158.29 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.614 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.5 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.055 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.405 ' O ' ' OG1' ' A' ' 4' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.443 ' O ' ' O ' ' A' ' 22' ' ' ALA . 1.2 p 61.76 -163.89 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.61 1.194 . . . . 0.0 110.431 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.509 ' CB ' HD13 ' A' ' 97' ' ' LEU . . . -62.42 112.79 2.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.212 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.424 HG23 ' CG2' ' A' ' 108' ' ' VAL . 0.9 OUTLIER -140.48 146.11 37.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.535 ' CG1' ' HB ' ' A' ' 19' ' ' VAL . 1.5 t -88.01 121.75 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.74 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -55.95 -68.8 0.49 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 110.43 -179.921 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.74 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.93 59.88 5.24 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.581 1.832 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.534 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 85.0 p -88.3 21.56 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -107.94 137.7 45.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.586 1.179 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 37.57 48.18 1.72 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.421 1.075 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.555 ' C ' ' CD1' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -42.99 163.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 0.0 109.347 179.922 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -139.38 142.92 37.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.674 1.234 . . . . 0.0 109.955 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -53.68 90.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.48 ' HA2' ' CG2' ' A' ' 68' ' ' THR . . . 104.43 38.75 2.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.585 1.178 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.13 124.35 37.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 110.332 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -74.64 113.64 13.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.586 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 5.5 m -118.92 154.9 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.304 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 111.59 23.99 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.616 1.197 . . . . 0.0 109.218 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.2 t -89.17 92.31 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -88.66 116.55 26.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.456 ' HA2' ' N ' ' A' ' 5' ' ' ALA . . . -101.55 75.5 0.36 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.096 . . . . 0.0 111.062 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.06 104.75 8.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.38 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 79.16 35.62 29.81 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.621 1.201 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.471 ' CD1' ' N ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -61.5 -121.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.584 0.814 . . . . 0.0 109.214 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.614 ' NE2' ' HG1' ' A' ' 30' ' ' THR . 0.1 OUTLIER -85.04 33.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 76.08 -13.59 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.636 1.21 . . . . 0.0 109.359 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.612 ' HA2' ' CB ' ' A' ' 57' ' ' ALA . . . 132.31 3.97 3.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.614 ' HG1' ' NE2' ' A' ' 27' ' ' GLN . 2.0 m -58.01 -154.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.417 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.598 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -135.7 142.06 45.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.405 1.066 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.612 ' CD1' ' HA ' ' A' ' 99' ' ' ASP . 6.1 m-30 -151.04 169.9 20.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.45 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -91.02 111.22 22.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.943 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.475 HG12 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -79.06 136.86 22.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 109.226 -179.891 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.559 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 178.03 160.4 24.39 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.608 1.192 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.485 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -96.41 101.51 13.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 0.796 . . . . 0.0 110.22 -179.932 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 3.5 t -107.89 151.64 25.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 108.334 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 175.47 167.54 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 109.309 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -68.24 108.18 3.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.632 1.207 . . . . 0.0 108.01 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.619 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -93.32 -46.0 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.362 179.949 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.594 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -89.7 -161.02 0.74 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.9 m -70.06 84.38 0.52 Allowed 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 124.378 1.049 . . . . 0.0 110.435 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.71 20.71 70.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 98.8 t -101.2 110.37 27.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.539 0.788 . . . . 0.0 109.228 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.06 99.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.448 ' CB ' ' HB ' ' A' ' 40' ' ' VAL . . . -111.32 135.5 51.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 48.7 m -97.11 156.02 16.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 108.291 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.634 ' N ' HD21 ' A' ' 48' ' ' ASN . 1.9 m120 -79.25 161.64 67.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.403 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.552 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.1 -13.85 21.08 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.6 1.842 . . . . 0.0 110.942 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.62 18.73 20.55 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.57 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -87.02 9.26 20.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.552 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -104.38 88.23 2.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.475 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -148.33 83.73 1.49 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.629 1.206 . . . . 0.0 109.92 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.87 143.83 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.96 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.481 HG22 ' CB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -156.22 164.04 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 O-C-N 124.354 1.034 . . . . 0.0 109.364 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.579 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -145.41 153.65 41.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.424 1.077 . . . . 0.0 110.438 179.926 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.612 ' CB ' ' HA2' ' A' ' 29' ' ' GLY . . . -101.53 145.1 29.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.629 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER -59.02 160.96 5.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.7 -33.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.362 1.039 . . . . 0.0 109.108 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -88.39 34.04 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.197 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.629 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.82 45.11 7.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.156 . . . . 0.0 111.065 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 17.2 m -113.98 97.47 6.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 0.742 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 57' ' ' ALA . . . -102.66 82.43 2.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.4 p -91.99 79.13 5.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.574 1.171 . . . . 0.0 110.043 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.481 ' CB ' HG22 ' A' ' 55' ' ' VAL . 2.3 t -107.36 142.68 36.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 110.39 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.8 p -100.21 133.18 44.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.687 1.242 . . . . 0.0 109.878 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.45 166.63 22.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.48 ' CG2' ' HA2' ' A' ' 16' ' ' GLY . 2.3 m -105.8 133.18 50.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.386 1.054 . . . . 0.0 110.439 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 19' ' ' VAL . 22.7 t -88.79 84.88 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.7 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 5.7 mmt85 -88.09 68.33 9.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.609 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 5.6 ttm180 -37.19 -30.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 21.8 p -93.88 122.25 36.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.927 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.7 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 178.01 168.12 0.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.429 1.08 . . . . 0.0 110.971 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -93.05 110.23 21.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.418 1.074 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.1 163.63 54.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.585 1.178 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -138.51 117.27 12.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.507 0.769 . . . . 0.0 110.984 -179.934 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.485 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 18.2 mt -52.78 163.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 79' ' ' ASP . 2.7 p90 -77.64 -34.29 53.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.422 1.076 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 78' ' ' PHE . 2.5 t0 -53.52 -50.56 65.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.548 1.155 . . . . 0.0 109.403 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.24 -22.1 0.76 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.2 m -77.95 138.62 38.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 0.76 . . . . 0.0 110.347 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 9.1 ptp180 -83.85 142.97 30.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.636 1.21 . . . . 0.0 110.244 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.619 ' CD1' HG13 ' A' ' 40' ' ' VAL . 76.0 t-105 -104.99 -90.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 150.06 -75.13 0.26 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.394 1.058 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.498 ' O ' ' HB ' ' A' ' 86' ' ' VAL . 1.2 m 68.15 -57.25 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.648 0.852 . . . . 0.0 110.418 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 72' ' ' SER . 96.1 t 72.67 -102.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.16 101.58 3.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 0.9 OUTLIER -83.56 72.0 10.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 108.3 -179.937 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.405 HG23 ' NH1' ' A' ' 71' ' ' ARG . 94.5 m -105.55 -27.46 11.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 110.341 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.8 m -88.48 -43.27 11.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.313 1.008 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.442 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -87.05 140.51 29.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.37 90.07 7.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.066 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.428 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 29.3 m -65.97 132.07 47.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 108.307 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 87.8 mt-30 -104.13 116.99 33.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.485 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 13.6 t -88.36 116.2 29.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.447 1.092 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -169.53 172.75 43.7 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.471 1.107 . . . . 0.0 111.091 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.509 HD13 ' CB ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -107.0 134.91 49.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.747 . . . . 0.0 109.351 179.883 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.3 p -104.66 167.54 9.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.612 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -64.28 161.53 16.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.55 -3.88 48.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.348 1.03 . . . . 0.0 109.325 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.25 -14.11 58.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.62 28.38 8.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.569 1.168 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 26.4 p-10 -150.03 160.63 43.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 0.729 . . . . 0.0 109.225 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 146.96 111.69 0.68 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -5.42 16.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.1 120.52 6.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 110.277 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -179.15 136.79 2.94 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.424 ' CG2' HG23 ' A' ' 6' ' ' THR . 8.2 p -103.92 118.31 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.415 0.715 . . . . 0.0 109.365 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.88 92.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.644 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -88.95 136.59 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.612 1.195 . . . . 0.0 109.247 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 4.1 t . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.437 1.086 . . . . 0.0 110.056 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.503 ' C ' ' CG2' ' A' ' 4' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.506 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 1.0 OUTLIER 66.68 -146.33 0.17 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.506 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -76.52 111.01 11.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.586 1.179 . . . . 0.0 109.445 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.474 ' CG2' HG21 ' A' ' 108' ' ' VAL . 1.8 p -149.37 150.74 32.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.517 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.1 t -74.2 131.24 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.473 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.24 -55.27 1.4 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.517 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.14 -159.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.403 1.739 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.58 -44.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 109.989 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.426 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 45.1 m -78.81 78.99 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.466 ' CA ' HG13 ' A' ' 69' ' ' VAL . . . -58.58 -11.62 10.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.608 1.193 . . . . 0.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.95 59.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -136.61 119.69 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.946 -179.892 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 14' ' ' SER . 6.0 p-10 -34.97 94.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 42.69 69.21 0.64 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.418 1.074 . . . . 0.0 111.016 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.508 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -74.29 123.22 24.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.358 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -94.46 120.15 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.382 1.051 . . . . 0.0 109.324 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.479 HG21 ' CG ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -148.17 -170.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.467 1.105 . . . . 0.0 109.185 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 42.2 mttt -121.48 131.28 54.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.6 t -97.61 106.35 18.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -87.31 135.56 33.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.457 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -115.39 73.18 0.25 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.08 122.39 25.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 0.0 109.215 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 80.33 23.59 60.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -84.97 -146.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.479 ' N ' HD12 ' A' ' 26' ' ' LEU . 2.4 mt-30 -83.67 80.96 8.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.469 ' HB1' ' CA ' ' A' ' 61' ' ' GLY . . . -61.13 130.09 44.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.365 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.05 -22.89 16.36 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.546 1.153 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.449 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -90.59 -174.0 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 0.0 110.452 179.932 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.508 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -160.34 150.3 18.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -149.89 174.7 12.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 111.07 179.934 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -94.87 119.8 34.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.233 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.54 HG22 ' CG2' ' A' ' 55' ' ' VAL . 1.4 t -74.27 134.18 30.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.663 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . -179.48 147.88 7.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.666 1.229 . . . . 0.0 111.012 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -93.15 108.53 20.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 110.353 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.472 ' SG ' ' CD1' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -106.39 154.56 20.62 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.58 1.175 . . . . 0.0 108.326 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . 177.68 162.95 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.562 ' CE3' ' O ' ' A' ' 39' ' ' TRP . 65.0 p-90 -67.11 106.47 1.99 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.626 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -89.11 -42.39 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.607 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 4.8 t0 -82.51 -153.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 42' ' ' THR . 7.5 t -80.79 54.74 2.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.49 1.119 . . . . 0.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.1 -0.82 40.94 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.426 1.079 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.518 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 18.0 t -79.62 115.25 21.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.376 0.692 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.472 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -63.17 99.46 0.18 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.311 1.007 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.468 ' CB ' ' HB ' ' A' ' 40' ' ' VAL . . . -109.61 145.25 36.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.0 m -103.77 159.13 15.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 0.0 108.304 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.692 ' N ' HD21 ' A' ' 48' ' ' ASN . 1.0 OUTLIER -84.77 160.22 56.24 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.538 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 18.4 Cg_endo -74.93 -16.79 20.19 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.534 1.807 . . . . 0.0 111.021 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.53 17.6 23.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.576 1.173 . . . . 0.0 109.239 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.663 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.36 13.12 10.44 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.376 1.048 . . . . 0.0 109.336 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CD2' ' O ' ' A' ' 49' ' ' PRO . 16.1 m-85 -106.26 91.9 3.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.454 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 30.5 t -144.09 80.0 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 0.0 110.066 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.472 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 96.3 p -46.08 136.48 6.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.967 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.54 ' CG2' HG22 ' A' ' 34' ' ' VAL . 6.7 m -159.75 168.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.508 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -139.02 169.28 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.918 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.57 138.48 42.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -73.75 154.7 39.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.86 -27.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.455 ' N ' ' C ' ' A' ' 58' ' ' ASP . 6.4 t30 -87.3 31.45 0.73 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.07 41.56 2.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.479 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 71.7 m -118.04 113.42 21.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 0.728 . . . . 0.0 109.99 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.43 95.81 7.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.059 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.4 p -88.18 87.31 7.28 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.529 ' CB ' HG23 ' A' ' 34' ' ' VAL . 3.3 p -107.27 165.91 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.374 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 2.2 p -136.56 133.93 36.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.059 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.43 167.72 26.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.373 1.045 . . . . 0.0 109.173 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.1 t -105.27 142.84 34.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.37 1.044 . . . . 0.0 110.402 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.479 ' CG2' HG23 ' A' ' 17' ' ' THR . 60.8 t -88.88 87.22 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.514 ' NH1' ' HB2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -88.94 126.84 35.57 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.616 1.198 . . . . 0.0 110.378 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -93.33 -37.0 12.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 0.0 110.165 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 2.4 m -106.02 125.27 50.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CD2' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 174.92 161.99 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.913 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 2.6 tp10 -83.14 125.17 31.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.207 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.09 170.92 30.75 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.458 1.098 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -130.36 126.3 36.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 0.0 110.988 -179.934 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 41' ' ' ASP . 4.9 mt -62.02 157.14 19.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.394 1.059 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.572 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -75.17 -29.43 60.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 111.018 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -54.59 -56.36 19.81 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.58 -26.79 0.24 Allowed Glycine 0 CA--C 1.532 1.122 0 O-C-N 124.476 1.11 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 23.3 m -83.73 149.35 26.52 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 0.781 . . . . 0.0 110.353 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.9 mtt-85 -86.05 144.67 27.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 110.363 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.626 ' CD1' HG12 ' A' ' 40' ' ' VAL . 44.5 t-105 -104.74 -90.52 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.506 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 146.86 -75.8 0.28 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.518 1.136 . . . . 0.0 111.093 -179.92 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.514 ' OG1' ' CG2' ' A' ' 40' ' ' VAL . 17.0 m 69.22 -55.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 0.726 . . . . 0.0 110.318 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.501 ' HB ' ' O ' ' A' ' 85' ' ' THR . 65.8 t 73.03 -100.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.424 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -60.69 117.59 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 9.2 t -91.07 40.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.373 1.046 . . . . 0.0 108.193 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.6 t -90.06 -24.1 21.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 110.399 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.7 m -89.57 -57.92 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.516 ' HA ' ' CH2' ' A' ' 39' ' ' TRP . . . -90.31 137.38 32.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -82.04 127.84 33.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.387 1.054 . . . . 0.0 109.21 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 122.07 33.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.072 . . . . 0.0 108.285 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.54 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 21.4 mt-30 -102.98 117.5 34.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 4.3 t -86.3 116.81 29.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.342 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -156.49 168.07 33.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.904 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.6 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -105.96 127.01 52.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.579 0.811 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 32' ' ' TYR . 21.5 t -95.65 145.95 24.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.958 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -96.83 159.61 14.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.38 -3.58 37.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.88 -19.25 26.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.0 42.36 25.03 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 0.4 OUTLIER -94.72 137.1 34.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.82 97.68 0.01 OUTLIER Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.561 1.163 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.3 Cg_endo -75.02 139.32 24.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.565 1.824 . . . . 0.0 110.983 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.83 107.49 19.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -99.5 153.71 19.65 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.418 1.074 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.474 HG21 ' CG2' ' A' ' 6' ' ' THR . 9.6 p -105.39 114.52 45.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.6 0.824 . . . . 0.0 109.257 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.98 93.97 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.42 ' CG1' ' HA3' ' A' ' 12' ' ' GLY . 3.0 tp -70.89 145.0 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.426 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.155 . . . . 0.0 109.945 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 4' ' ' THR . 18.8 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 111.073 -0.395 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.483 ' HB ' ' CD2' ' A' ' 26' ' ' LEU . 10.1 p 36.34 -135.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.47 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' A' ' 97' ' ' LEU . . . -86.58 113.14 22.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.58 147.76 38.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.57 1.169 . . . . 0.0 110.489 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.55 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 4.5 t -80.53 133.35 29.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.586 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.81 -60.73 0.44 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 110.415 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.586 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.9 Cg_endo -74.96 -159.79 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.781 . . . . 0.0 111.038 179.87 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.507 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 18.5 m -151.79 -64.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.0 164.09 14.95 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.113 . . . . 0.0 110.033 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.01 25.02 53.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.09 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.458 ' CD1' HG23 ' A' ' 110' ' ' ILE . 4.3 mt -79.08 152.75 30.66 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.465 0.744 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.4 t -126.01 150.56 48.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.448 ' CB ' ' HB2' ' A' ' 72' ' ' SER . 0.3 OUTLIER -55.65 81.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.395 1.059 . . . . 0.0 109.382 179.927 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 125.55 35.32 0.61 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 68' ' ' THR . 83.9 m -85.78 105.2 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 0.752 . . . . 0.0 110.304 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.401 ' O ' HG11 ' A' ' 19' ' ' VAL . 2.4 t -73.38 118.62 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.539 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 0.2 OUTLIER -144.91 176.85 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.61 1.193 . . . . 0.0 109.141 -179.875 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -114.45 127.63 55.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.0 t -101.51 107.45 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.21 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.15 128.44 35.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -106.38 93.18 0.85 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.535 1.147 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.4 104.5 17.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 0.792 . . . . 0.0 109.23 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.36 30.42 27.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.483 ' CD2' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -90.66 -141.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.347 179.864 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.606 ' OE1' ' CE1' ' A' ' 32' ' ' TYR . 19.0 mm-40 -52.42 90.81 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.564 1.165 . . . . 0.0 110.322 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.02 84.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 76.99 5.06 84.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.573 1.17 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.514 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -90.0 -175.81 4.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 0.769 . . . . 0.0 110.399 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.508 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -144.11 115.54 8.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.606 ' CE1' ' OE1' ' A' ' 27' ' ' GLN . 4.6 m-30 -115.52 -168.89 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.625 ' HD2' ' HA ' ' A' ' 52' ' ' PHE . 37.1 t70 -115.58 111.84 21.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.705 1.253 . . . . 0.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -76.39 138.68 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.601 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 179.6 153.69 12.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.522 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.12 96.01 9.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.759 . . . . 0.0 110.279 -179.92 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 11.8 t -107.36 164.09 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 108.351 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 37' ' ' CYS . . . 167.57 159.22 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.578 1.174 . . . . 0.0 109.241 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.459 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 28.8 p90 -74.15 118.81 17.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 107.988 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.676 HG12 ' N ' ' A' ' 41' ' ' ASP . 1.2 p -108.61 -36.14 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.411 179.908 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.676 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -90.38 -175.41 4.47 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.1 m -54.47 84.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.367 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 59.95 18.01 45.77 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.509 1.131 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.512 HG11 ' CD2' ' A' ' 77' ' ' LEU . 9.6 t -93.97 122.67 45.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.401 0.706 . . . . 0.0 109.247 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 13.8 tp -77.32 112.21 13.79 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.387 1.054 . . . . 0.0 109.38 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.515 ' HB1' ' CE3' ' A' ' 83' ' ' TRP . . . -125.21 140.75 52.58 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.609 1.193 . . . . 0.0 109.361 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.9 m -110.52 150.44 28.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 108.417 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.575 ' CG ' ' CZ ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -78.15 168.28 28.79 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.594 1.184 . . . . 0.0 109.343 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.485 ' CG ' ' HB2' ' A' ' 73' ' ' PHE . 18.8 Cg_endo -74.99 -9.55 20.83 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.17 16.66 23.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.601 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -87.5 6.25 35.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 109.214 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.625 ' HA ' ' HD2' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -107.98 96.43 6.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 110.907 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.438 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -150.06 84.56 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.041 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' SER . 91.3 p -38.48 144.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.946 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.483 HG23 ' CB ' ' A' ' 65' ' ' THR . 2.7 t -155.93 153.38 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.508 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -139.19 141.67 37.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.468 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -105.97 142.61 35.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -64.68 158.06 25.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.65 -28.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.425 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' C ' ' A' ' 58' ' ' ASP . 19.0 t30 -87.67 33.23 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.15 41.55 4.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.402 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 0.7 OUTLIER -106.12 100.17 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 0.712 . . . . 0.0 110.019 179.921 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 57' ' ' ALA . . . -103.04 82.46 2.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.0 p -88.81 83.16 6.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.368 1.042 . . . . 0.0 109.945 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.483 ' CB ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -106.96 163.02 13.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.395 179.929 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.5 p -135.35 134.56 39.93 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.956 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.73 172.23 18.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 17' ' ' THR . 14.3 t -106.17 140.75 38.65 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.564 1.165 . . . . 0.0 110.513 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 14' ' ' SER . 9.3 t -88.24 87.51 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.673 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -88.29 65.45 8.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.338 1.024 . . . . 0.0 110.351 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.542 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 5.7 ttp85 -39.15 -28.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 86' ' ' VAL . 4.2 m -93.79 137.11 33.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 110.061 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.673 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 161.44 175.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.373 1.046 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.543 ' HA ' ' HA2' ' A' ' 84' ' ' GLY . 4.5 tp10 -92.98 103.94 16.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.653 ' HA3' ' CE3' ' A' ' 83' ' ' TRP . . . -80.33 166.47 49.68 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.524 1.14 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -146.37 145.66 30.37 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.512 0.772 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 0.8 OUTLIER -91.25 145.77 24.38 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.196 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -83.92 -11.68 56.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -43.09 57.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 154.64 -24.64 0.65 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.406 1.066 . . . . 0.0 111.092 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 22.6 m -76.16 168.51 19.91 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 0.747 . . . . 0.0 110.3 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.524 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 9.2 ptp180 -109.53 142.02 41.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.653 ' CE3' ' HA3' ' A' ' 75' ' ' GLY . 1.5 t90 -97.15 -86.23 0.34 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.555 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 83.57 -114.71 3.92 Favored Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.552 1.158 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 26.7 m 82.81 -54.06 0.18 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.462 0.742 . . . . 0.0 110.463 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 72' ' ' SER . 2.8 t 85.79 -15.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -144.53 111.29 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 7.9 t -91.79 66.48 5.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.606 1.191 . . . . 0.0 108.329 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 t -104.17 -15.48 15.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 91' ' ' ALA . 9.7 t -89.34 -54.77 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 110.372 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.48 ' CB ' ' HA ' ' A' ' 40' ' ' VAL . . . -90.46 155.2 19.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -88.22 118.68 27.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.604 1.19 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.01 124.27 35.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.365 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -105.43 123.33 47.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.608 1.193 . . . . 0.0 110.273 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.522 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 1.9 t -89.41 132.04 35.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 179.15 172.45 43.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.482 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -107.35 136.25 47.48 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.928 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.8 p -106.08 159.09 16.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.603 1.189 . . . . 0.0 110.084 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.58 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -69.14 161.22 29.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.891 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.03 -5.02 58.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.4 -84.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -177.81 35.92 0.08 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.578 1.174 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 61.8 m-80 -148.94 163.89 36.16 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.476 0.751 . . . . 0.0 109.407 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 164.58 81.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.81 -6.44 18.15 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.5 145.83 41.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 143.37 130.62 2.42 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.501 1.125 . . . . 0.0 111.131 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 4.2 p -106.03 134.61 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.386 0.698 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.79 93.97 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.546 ' O ' ' CB ' ' A' ' 111' ' ' SER . 1.1 tp -102.74 144.98 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.051 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.407 ' O ' ' OG1' ' A' ' 4' ' ' THR . 17.9 Cg_endo . . . . . 0 N--CA 1.455 -0.767 0 N-CA-C 110.91 -0.458 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.433 ' O ' ' HA2' ' A' ' 23' ' ' GLY . 73.5 p 46.66 -124.5 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.49 122.44 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -144.01 146.94 33.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.11 . . . . 0.0 110.384 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.514 HG13 ' CG2' ' A' ' 19' ' ' VAL . 2.3 t -87.62 115.31 27.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.658 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -38.22 -64.35 0.46 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.658 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.03 -155.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.434 1.755 . . . . 0.0 111.031 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.519 ' OG ' ' CD2' ' A' ' 13' ' ' LEU . 95.6 p -104.79 -24.77 12.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.541 1.151 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.509 ' OG ' ' CG2' ' A' ' 69' ' ' VAL . 0.5 OUTLIER 48.92 -179.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.893 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.18 -46.64 3.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.519 ' CD2' ' OG ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -42.96 -34.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.553 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -129.17 116.61 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.94 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.493 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 14.5 p-10 -59.06 78.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.07 . . . . 0.0 109.274 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 128.04 40.5 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.478 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 24.0 m -87.82 121.84 30.73 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.474 0.749 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.01 122.47 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.514 ' CG2' HG13 ' A' ' 7' ' ' VAL . 1.2 m -136.35 175.87 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.359 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -118.44 116.02 25.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.362 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.5 t -90.7 100.18 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.17 124.23 33.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.461 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -103.58 107.2 2.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.35 98.82 8.55 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.495 0.762 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.57 39.98 20.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.495 HD22 ' CD2' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -88.93 -122.04 0.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 109.374 179.938 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.656 ' OE1' ' CD2' ' A' ' 32' ' ' TYR . 14.1 mm100 -38.89 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.582 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 61.9 26.06 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 124.91 -15.43 7.42 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.467 1.104 . . . . 0.0 110.954 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.549 ' CA ' ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -83.46 -166.48 1.39 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 0.816 . . . . 0.0 110.418 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.542 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -150.73 148.69 28.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.637 1.211 . . . . 0.0 109.218 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.656 ' CD2' ' OE1' ' A' ' 27' ' ' GLN . 2.6 m-30 -150.15 -172.19 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -100.71 113.49 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.911 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.494 ' CG2' HG12 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -82.04 139.84 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 -179.956 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.599 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 171.86 160.48 20.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.365 1.041 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.6 OUTLIER -92.04 101.49 14.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.288 -179.927 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.499 ' SG ' ' CD1' ' A' ' 45' ' ' LEU . 2.7 t -106.4 153.55 22.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 108.251 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -179.49 159.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.363 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.539 ' CD1' HD23 ' A' ' 45' ' ' LEU . 20.0 m-90 -67.72 112.34 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 108.006 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.575 HG11 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -101.96 -49.8 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.91 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.503 ' OD2' ' CG2' ' A' ' 44' ' ' VAL . 1.1 t70 -91.09 169.32 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.575 ' O ' ' CG2' ' A' ' 42' ' ' THR . 1.5 t -35.25 102.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.474 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.87 26.37 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.503 ' CG2' ' OD2' ' A' ' 41' ' ' ASP . 2.1 t -101.89 122.84 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.577 0.81 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.539 HD23 ' CD1' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -74.73 109.44 8.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.475 ' CB ' HG13 ' A' ' 40' ' ' VAL . . . -121.39 141.69 50.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.403 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.7 m -104.89 158.64 16.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.374 1.046 . . . . 0.0 108.282 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.47 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.9 OUTLIER -82.54 164.97 44.85 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.524 ' HG2' ' CD1' ' A' ' 73' ' ' PHE . 18.1 Cg_endo -75.02 -15.16 20.85 Favored 'Trans proline' 0 C--N 1.362 1.27 0 O-C-N 124.477 1.778 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.47 12.81 31.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 109.213 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.603 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -89.32 11.49 18.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.585 1.178 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -105.75 87.81 2.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.354 1.034 . . . . 0.0 110.947 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 54' ' ' SER . 0.3 OUTLIER -147.64 86.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.904 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -36.76 151.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.043 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.494 HG12 ' CG2' ' A' ' 34' ' ' VAL . 14.7 p -155.06 156.38 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.542 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -146.26 131.0 17.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.382 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.557 ' CB ' ' HB2' ' A' ' 27' ' ' GLN . . . -93.31 122.89 36.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.204 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 61' ' ' GLY . 1.3 m-20 -50.56 165.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.377 1.048 . . . . 0.0 109.3 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.77 -42.29 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.391 1.057 . . . . 0.0 109.318 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -86.75 38.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.2 39.34 3.99 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -94.43 90.25 6.16 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.438 0.728 . . . . 0.0 110.024 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.14 80.34 1.5 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.6 1.188 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -93.96 80.31 4.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.397 1.061 . . . . 0.0 110.004 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.46 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 1.0 OUTLIER -107.99 131.73 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.358 1.036 . . . . 0.0 110.356 -179.941 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 10.8 p -102.36 137.68 40.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.404 ' CD2' ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -154.54 178.21 10.33 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.406 1.066 . . . . 0.0 109.344 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.464 ' CG2' ' HA2' ' A' ' 16' ' ' GLY . 4.4 m -103.85 127.94 51.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.445 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.509 ' CG2' ' OG ' ' A' ' 11' ' ' SER . 25.2 t -88.88 88.89 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.494 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -92.73 95.19 9.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.241 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -62.73 -39.02 92.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.505 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -87.98 130.32 34.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.925 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.524 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 163.44 173.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.394 1.059 . . . . 0.0 110.935 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.573 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 1.1 tp10 -80.76 118.28 22.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.07 161.65 28.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.573 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 2.2 m-85 -135.86 138.35 42.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.492 ' CD1' ' HB2' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -72.1 153.07 41.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -78.71 -22.36 46.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.4 -52.36 65.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.44 -27.83 0.21 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.468 HG23 ' CD2' ' A' ' 77' ' ' LEU . 1.6 t -85.18 174.51 9.6 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.396 0.703 . . . . 0.0 110.352 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.438 ' N ' ' OG1' ' A' ' 81' ' ' THR . 11.2 ptt180 -117.34 150.5 38.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.575 ' CD1' HG11 ' A' ' 40' ' ' VAL . 36.3 t-105 -105.8 -87.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.588 1.18 . . . . 0.0 108.04 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 138.0 -101.73 0.34 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.494 1.121 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.614 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 1.9 m 86.91 -61.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 0.752 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.614 ' CG2' ' O ' ' A' ' 85' ' ' THR . 0.8 OUTLIER 79.36 -18.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.219 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 85' ' ' THR . 0.6 OUTLIER -141.97 104.3 4.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.607 1.192 . . . . 0.0 109.373 179.859 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 39.4 t -89.29 48.58 1.63 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.455 1.097 . . . . 0.0 108.273 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.6 t -91.85 -15.34 28.33 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.8 m -88.08 -53.16 4.86 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.598 1.186 . . . . 0.0 110.411 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -90.86 134.65 34.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -68.57 113.5 6.15 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.418 1.074 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.418 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -86.94 123.05 31.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 108.316 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.514 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 1.3 pt20 -104.98 122.48 45.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.479 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 5.5 t -85.69 112.07 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.44 177.39 37.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.495 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -106.62 126.02 51.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.364 179.898 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.3 p -86.47 155.24 20.61 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.448 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -79.04 159.92 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.0 109.262 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.62 11.29 15.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.391 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.14 -74.07 0.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.389 1.056 . . . . 0.0 109.344 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 159.63 47.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.415 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 15.6 m-80 -121.26 161.85 21.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.272 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.67 98.58 1.08 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 -163.34 0.18 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.452 1.764 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.2 137.03 32.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.349 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -130.59 160.32 23.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.586 1.179 . . . . 0.0 111.065 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.445 HG13 ' CD1' ' A' ' 110' ' ' ILE . 10.8 p -94.93 117.69 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.563 0.802 . . . . 0.0 109.246 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.43 92.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 111' ' ' SER . 1.0 OUTLIER -75.11 161.66 4.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.58 1.175 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.003 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.423 ' C ' ' CG2' ' A' ' 4' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.972 -0.434 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.529 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 0.1 OUTLIER 52.37 177.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.547 ' HA ' ' CA ' ' A' ' 23' ' ' GLY . . . -44.86 132.77 6.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.398 1.061 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.1 p -150.74 144.98 25.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.5 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 2.4 t -82.86 127.67 39.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.524 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -38.47 -57.84 1.75 Allowed Pre-proline 0 C--N 1.328 -0.366 0 O-C-N 124.529 1.143 . . . . 0.0 110.439 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -75.03 -161.61 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.783 . . . . 0.0 110.981 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -141.79 -47.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -68.87 64.61 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.94 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -48.02 -20.42 1.32 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 111' ' ' SER . 3.7 pp -65.93 66.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.391 0.701 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -140.76 123.22 15.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.158 179.954 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 14' ' ' SER . 5.8 p-10 -35.57 93.82 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.445 1.09 . . . . 0.0 109.229 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 42.44 68.83 0.68 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.653 1.22 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.502 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -74.47 123.07 24.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 0.773 . . . . 0.0 110.488 179.867 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -97.1 124.2 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.221 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.5 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 0.4 OUTLIER -149.96 -169.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.889 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -104.25 141.86 35.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.339 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 6' ' ' THR . 59.3 t -118.0 91.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -92.06 131.54 37.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.547 ' CA ' ' HA ' ' A' ' 5' ' ' ALA . . . -128.55 102.68 0.58 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.39 115.12 24.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 0.812 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.66 34.96 29.95 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.422 1.077 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.532 ' CD1' ' N ' ' A' ' 27' ' ' GLN . 1.5 tm? -74.56 -99.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 109.143 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.582 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -83.78 10.94 8.29 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 74.56 -3.19 2.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.398 1.062 . . . . 0.0 109.265 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 124.83 -2.28 8.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.595 1.184 . . . . 0.0 111.011 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.469 ' CB ' ' NE2' ' A' ' 27' ' ' GLN . 2.9 m -61.03 -154.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.42 0.718 . . . . 0.0 110.428 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.577 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -138.68 110.32 7.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.65 1.219 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.582 ' CE2' ' HG2' ' A' ' 27' ' ' GLN . 2.8 m-30 -119.87 -172.81 2.41 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.467 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 94.8 m-20 -111.17 114.58 27.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.516 HG23 ' CG2' ' A' ' 65' ' ' THR . 1.3 t -76.72 137.71 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.407 1.067 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.581 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 177.91 153.39 11.11 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.423 1.077 . . . . 0.0 111.067 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.505 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.09 95.66 9.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 0.0 110.384 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.2 t -105.0 156.88 17.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 108.31 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 176.26 163.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 41.4 p-90 -71.18 117.41 12.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 108.025 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.477 HG23 ' CA ' ' A' ' 85' ' ' THR . 4.4 p -102.54 -48.69 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.203 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.502 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -85.31 -160.21 0.49 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.571 1.169 . . . . 0.0 109.31 -179.9 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.9 m -66.52 80.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.05 10.36 56.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.558 HG12 ' CD1' ' A' ' 78' ' ' PHE . 9.7 t -84.57 111.99 21.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.738 . . . . 0.0 109.379 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mt -67.45 107.73 2.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.258 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.531 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . . . -121.83 143.38 49.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.0 m -109.21 152.03 25.72 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.479 1.112 . . . . 0.0 108.303 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.546 ' ND2' ' N ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -77.91 171.94 11.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.231 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.601 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.03 -12.3 21.45 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 110.949 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.28 18.29 21.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.581 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 3.0 t70 -88.34 5.07 43.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -107.89 95.08 5.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.584 1.177 . . . . 0.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 13.6 t -146.62 80.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.971 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 99.6 p -46.42 134.13 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.185 . . . . 0.0 110.049 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.481 ' CG1' HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -159.56 164.94 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 O-C-N 124.448 1.093 . . . . 0.0 109.379 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.577 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -132.65 158.2 42.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.337 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.45 ' O ' ' HA2' ' A' ' 29' ' ' GLY . . . -102.05 151.84 21.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.632 ' O ' ' N ' ' A' ' 61' ' ' GLY . 1.3 m-20 -68.61 162.81 25.1 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.637 1.211 . . . . 0.0 109.216 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.1 -40.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.391 1.057 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -87.24 38.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.53 43.67 3.92 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 74.9 m -105.28 100.64 10.22 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.496 0.762 . . . . 0.0 110.024 179.884 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.65 97.61 8.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.243 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 52.4 p -105.77 76.83 1.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.516 ' CG2' HG23 ' A' ' 34' ' ' VAL . 8.1 t -109.45 139.53 44.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.426 1.079 . . . . 0.0 110.367 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.0 p -89.7 134.03 34.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.04 165.99 26.23 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 109.214 -179.867 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 17' ' ' THR . 13.5 t -105.84 144.33 32.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.397 1.061 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.496 HG11 ' CA ' ' A' ' 12' ' ' GLY . 93.5 t -89.82 85.28 2.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 O-C-N 124.475 1.11 . . . . 0.0 109.162 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.01 75.51 8.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.677 1.236 . . . . 0.0 110.336 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.515 ' CG ' ' CB ' ' A' ' 88' ' ' CYS . 16.6 ttp85 -53.37 -31.0 42.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.334 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.667 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 86.9 p -106.63 129.68 54.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.597 1.186 . . . . 0.0 109.999 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.667 ' CD1' ' O ' ' A' ' 72' ' ' SER . 0.5 OUTLIER 158.92 126.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.382 1.051 . . . . 0.0 110.975 179.857 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.488 ' HA ' ' CG2' ' A' ' 86' ' ' VAL . 0.7 OUTLIER -75.3 113.05 12.22 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -103.9 -148.25 18.83 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.426 1.079 . . . . 0.0 110.97 -179.877 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 7.7 m-85 -126.95 151.11 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.792 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.531 ' HA ' ' CB ' ' A' ' 46' ' ' ALA . 1.8 mt -90.29 171.31 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 79' ' ' ASP . 0.8 OUTLIER -57.51 -29.19 64.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.563 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 7.8 t70 -73.28 -62.66 1.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.429 ' O ' ' CD2' ' A' ' 76' ' ' PHE . . . 166.48 -28.61 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.426 1.079 . . . . 0.0 111.0 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 84.2 m -39.58 154.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 0.772 . . . . 0.0 110.332 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.53 72.28 3.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.066 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.687 ' O ' ' N ' ' A' ' 75' ' ' GLY . 1.9 t90 -112.2 -83.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.66 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 53.06 139.61 0.0 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.425 1.078 . . . . 0.0 110.944 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.639 ' C ' ' O ' ' A' ' 84' ' ' GLY . 1.3 m 14.27 -81.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 0.749 . . . . 0.0 110.444 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.66 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.5 OUTLIER 78.5 -53.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 124.452 1.095 . . . . 0.0 109.234 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.479 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 7.0 t0 -151.43 87.22 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.515 ' CB ' ' CG ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -71.64 57.96 0.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 108.25 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.0 m -93.61 -4.61 50.46 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.453 1.096 . . . . 0.0 110.417 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.1 m -149.75 -44.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.447 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.74 133.34 39.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 109.36 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.29 126.71 32.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.36 125.65 36.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 35.4 mt-30 -98.05 116.46 30.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.505 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 3.4 t -88.95 114.89 27.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.336 1.023 . . . . 0.0 109.259 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.85 170.98 39.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.477 HD23 ' CB ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -105.48 122.0 45.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.348 0.675 . . . . 0.0 109.356 179.938 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.9 p -93.25 163.54 13.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 110.038 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -75.56 159.39 31.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.585 1.178 . . . . 0.0 109.376 179.896 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.15 9.75 14.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.39 -79.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 174.77 45.89 0.05 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -134.61 156.73 48.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 0.732 . . . . 0.0 109.375 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -126.04 111.2 1.4 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.397 1.061 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.83 -165.33 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.47 1.773 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.81 138.03 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -119.76 169.63 13.88 Favored Glycine 0 CA--C 1.528 0.883 0 O-C-N 124.489 1.118 . . . . 0.0 111.078 179.892 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.402 HG23 ' CG2' ' A' ' 6' ' ' THR . 5.4 p -103.97 114.6 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.562 0.801 . . . . 0.0 109.237 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.64 91.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.345 1.028 . . . . 0.0 109.326 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.496 HG13 ' CG2' ' A' ' 7' ' ' VAL . 0.4 OUTLIER -96.65 127.37 48.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.203 -179.907 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.516 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.421 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.4 p 60.44 -158.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 110.38 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.499 ' CB ' HD23 ' A' ' 97' ' ' LEU . . . -66.57 119.31 11.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -141.5 144.82 34.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.452 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 1.7 t -83.53 137.91 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.182 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.45 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.62 -54.08 1.3 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.541 179.872 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.452 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.12 -157.14 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.473 1.776 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.42 ' O ' HG12 ' A' ' 110' ' ' ILE . 60.7 p -145.56 -67.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 -179.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.82 -179.55 5.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.058 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.32 52.84 49.18 Favored Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.485 ' HB2' ' HA ' ' A' ' 111' ' ' SER . 28.2 mt -90.41 -178.93 5.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 0.733 . . . . 0.0 109.23 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.5 t -126.53 148.58 49.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 109.925 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -56.5 80.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.546 1.154 . . . . 0.0 109.391 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 117.72 40.84 0.69 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.514 1.133 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 14' ' ' SER . 35.4 m -80.32 107.39 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 0.795 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.1 t -81.76 123.77 38.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.425 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -151.41 178.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.87 137.62 38.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 6' ' ' THR . 21.4 t -115.8 100.36 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.227 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.09 128.9 37.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.421 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -115.49 97.77 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.55 115.89 28.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.431 0.724 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.72 17.16 62.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.045 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -84.53 -147.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 0.736 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.653 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 60.4 mm-40 -46.16 89.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.96 84.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.604 1.19 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 74.91 7.63 81.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.599 1.187 . . . . 0.0 111.053 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.485 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.13 -178.39 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.4 0.706 . . . . 0.0 110.346 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.539 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -139.56 113.5 8.73 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.653 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.5 m-30 -115.76 -171.27 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -109.06 109.27 20.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.522 ' CG2' ' CD2' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -73.92 137.17 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.578 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 175.2 159.41 21.27 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.542 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -96.03 93.41 6.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 0.752 . . . . 0.0 110.291 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 4.7 t -106.82 164.36 12.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 108.279 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 37' ' ' CYS . . . 161.63 172.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.436 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 19.4 p90 -66.82 102.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 108.04 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 41' ' ' ASP . 2.7 m -85.6 -53.4 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.527 ' N ' ' CG2' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -90.27 -165.14 1.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.909 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.5 m -76.37 94.65 3.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.379 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.59 14.34 72.26 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.627 1.204 . . . . 0.0 111.071 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 8.8 t -104.79 107.98 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.208 -179.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -78.82 110.03 13.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.61 1.194 . . . . 0.0 109.367 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.576 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . . . -126.75 166.46 17.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.173 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.4 m -127.25 144.87 50.96 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.463 1.102 . . . . 0.0 108.153 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.548 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 1.1 m120 -66.34 169.76 6.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.397 1.061 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.548 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -74.92 -13.18 21.67 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.493 1.786 . . . . 0.0 111.102 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.37 15.88 25.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.097 . . . . 0.0 109.382 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.578 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -88.06 5.73 39.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -108.19 94.56 5.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 111.054 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.447 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -148.57 84.25 1.48 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.883 -179.952 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.6 p -40.06 124.91 1.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.941 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.465 ' CG2' ' CG2' ' A' ' 65' ' ' THR . 2.2 t -138.46 156.06 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.539 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -139.44 143.55 37.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.429 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.437 ' HB3' ' CB ' ' A' ' 63' ' ' ALA . . . -106.85 142.54 36.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.622 1.201 . . . . 0.0 109.331 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.6 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -58.01 158.8 6.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.37 -30.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 58' ' ' ASP . 1.7 t-20 -88.64 35.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.181 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.62 42.34 3.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.102 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 3.4 m -106.71 97.87 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.958 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.437 ' CB ' ' HB3' ' A' ' 57' ' ' ALA . . . -106.43 88.16 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.369 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.4 p -97.48 75.2 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.076 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.465 ' CG2' ' CG2' ' A' ' 55' ' ' VAL . 28.2 m -108.56 140.01 42.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.397 1.061 . . . . 0.0 110.502 179.907 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.0 p -100.76 137.6 38.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.069 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.446 ' CD1' ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -150.09 174.19 13.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.408 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' THR . 14.6 t -105.95 134.21 49.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.402 ' CG1' ' CD1' ' A' ' 13' ' ' LEU . 35.1 t -88.15 92.54 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -87.81 95.4 10.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 110.335 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.484 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 2.6 ttm180 -64.72 -36.69 85.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -101.26 122.43 43.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.042 179.928 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.516 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 168.73 135.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 49' ' ' PRO . 26.0 tt0 -91.06 108.35 19.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.635 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -97.75 -144.9 17.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.424 1.078 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 9.2 m-85 -135.68 144.19 45.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.576 ' HA ' ' CB ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -93.11 -176.81 4.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -76.0 -23.8 55.25 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.595 1.184 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.88 -34.36 77.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.29 11.98 7.8 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.32 1.013 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 76' ' ' PHE . 1.1 m -89.05 157.61 18.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 110.525 179.855 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 5.6 ptp180 -94.58 74.71 3.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.635 ' O ' ' N ' ' A' ' 75' ' ' GLY . 8.6 t-105 -112.35 -84.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 108.097 179.908 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.713 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 56.47 85.95 0.03 OUTLIER Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.542 1.151 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.522 ' C ' ' CG2' ' A' ' 86' ' ' VAL . 90.0 m 50.93 -74.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.599 0.823 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.713 ' N ' ' O ' ' A' ' 84' ' ' GLY . 2.8 t 87.14 -43.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 89' ' ' THR . 7.9 t0 -155.1 82.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.484 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -68.39 63.12 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 108.261 -179.91 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 87' ' ' ASP . 12.8 t -92.73 -8.29 44.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.432 1.082 . . . . 0.0 110.392 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.7 m -149.84 -45.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.07 143.29 48.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.11 114.07 26.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 0.0 109.215 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.18 128.16 37.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 108.344 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 35.6 mt-30 -97.49 116.72 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.238 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.542 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 2.5 t -88.98 112.56 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.571 1.169 . . . . 0.0 109.24 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -163.85 175.88 39.96 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.6 1.187 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.575 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -106.12 134.72 48.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 83.5 p -106.43 145.22 32.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.929 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.592 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -50.62 163.09 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.639 1.212 . . . . 0.0 109.403 179.942 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.63 -4.52 34.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.638 1.212 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.2 -21.03 19.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.908 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.4 47.74 2.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.426 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 16.5 m-80 -147.58 160.44 42.64 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.509 0.77 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.09 105.49 3.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 111.042 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 52.12 3.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.448 1.762 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.75 132.93 35.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.348 179.905 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 151.25 142.42 3.52 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 110' ' ' ILE . 2.4 p -105.14 128.29 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.382 0.695 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.64 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.388 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.628 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -114.29 162.79 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 4.1 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.391 1.057 . . . . 0.0 109.948 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 4' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.045 -0.406 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.471 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 0.5 OUTLIER 43.63 -168.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 110.4 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.535 ' CB ' HD21 ' A' ' 97' ' ' LEU . . . -65.37 116.23 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.907 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.69 145.38 34.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 110.385 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.499 HG12 ' CG2' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -88.16 122.72 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.929 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.756 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -37.46 -70.06 0.16 Allowed Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 124.483 1.114 . . . . 0.0 110.455 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.756 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.1 -152.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.601 1.843 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.513 ' O ' ' O ' ' A' ' 11' ' ' SER . 12.3 p -103.16 -32.02 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.963 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.513 ' O ' ' O ' ' A' ' 10' ' ' SER . 0.5 OUTLIER 46.08 -179.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 109.947 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.67 -41.09 3.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -63.29 -20.12 65.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.428 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.544 ' HB3' ' OG1' ' A' ' 17' ' ' THR . 25.3 t -139.54 98.1 3.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 110.06 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.42 ' CG ' ' OG ' ' A' ' 72' ' ' SER . 4.3 p30 -54.92 102.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 109.326 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.466 ' HA2' ' CD ' ' A' ' 70' ' ' ARG . . . 122.44 21.19 2.79 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.585 1.178 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.544 ' OG1' ' HB3' ' A' ' 14' ' ' SER . 88.3 m -80.9 108.26 14.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.574 0.808 . . . . 0.0 110.414 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.78 118.65 22.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 109.286 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.499 ' CG2' HG12 ' A' ' 7' ' ' VAL . 1.3 m -138.72 -178.14 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.431 1.082 . . . . 0.0 109.215 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -113.71 128.83 56.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.344 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -103.79 100.2 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.21 119.64 29.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.471 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -110.31 81.4 0.29 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.47 1.106 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.16 123.85 28.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.436 0.727 . . . . 0.0 109.254 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 50.53 45.19 46.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.4 1.062 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.519 ' CD1' ' CD2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -87.88 -87.55 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.595 ' NE2' ' CD2' ' A' ' 32' ' ' TYR . 33.6 mm-40 -83.02 8.33 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 75.86 -10.48 1.27 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.445 1.09 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.497 ' HA2' ' CB ' ' A' ' 57' ' ' ALA . . . 129.56 -2.6 6.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 27' ' ' GLN . 2.1 m -57.8 -155.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.52 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -135.49 108.93 7.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.595 ' CD2' ' NE2' ' A' ' 27' ' ' GLN . 4.8 m-85 -120.46 164.1 16.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.531 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -88.87 112.97 23.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.416 1.073 . . . . 0.0 109.252 -179.916 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -79.19 140.34 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.424 1.078 . . . . 0.0 109.255 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.6 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 164.72 161.63 14.11 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.556 1.16 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.509 ' NE2' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -93.26 102.18 14.45 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.571 0.806 . . . . 0.0 110.37 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 4.7 t -108.15 154.61 21.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 108.357 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.513 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -178.62 168.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.214 -179.896 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.449 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 48.4 p90 -77.21 111.13 12.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 107.964 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.633 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -97.28 -47.58 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.604 ' OD1' ' CH2' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -87.53 -172.11 3.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.214 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -55.25 89.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 110.409 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 56.0 20.83 28.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.156 . . . . 0.0 111.079 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 50.7 t -96.62 115.53 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.284 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -67.0 107.04 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.382 179.938 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.476 ' CB ' HG11 ' A' ' 40' ' ' VAL . . . -120.47 134.59 55.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.216 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 19.5 m -95.98 157.65 15.8 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.428 1.08 . . . . 0.0 108.248 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.509 ' CB ' ' NE2' ' A' ' 36' ' ' GLN . 1.3 m-80 -83.86 167.81 25.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.178 -179.873 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.563 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.0 Cg_endo -75.0 -16.15 20.35 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.443 1.76 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.37 12.17 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.358 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.621 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -93.97 15.05 17.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.193 -179.889 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.9 m-85 -108.63 93.98 4.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.489 ' CB ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -149.46 81.86 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.982 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.4 p -55.43 124.61 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.2 p -148.68 158.75 6.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.368 1.043 . . . . 0.0 109.363 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.52 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -123.95 161.57 25.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 179.89 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.497 ' CB ' ' HA2' ' A' ' 29' ' ' GLY . . . -103.87 148.89 25.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.634 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.9 OUTLIER -63.83 161.85 14.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.347 1.029 . . . . 0.0 109.321 179.941 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.92 -35.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -88.56 37.23 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.634 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.35 41.01 2.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 57.3 m -107.34 96.32 6.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.493 ' CB ' ' HB1' ' A' ' 57' ' ' ALA . . . -104.62 90.78 3.61 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.364 1.04 . . . . 0.0 109.209 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.4 p -95.37 83.78 3.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.427 1.079 . . . . 0.0 110.005 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 65' ' ' THR . 14.7 t -108.46 133.93 51.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.639 1.212 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.9 p -101.01 139.51 36.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.948 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.489 HD13 ' CB ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -156.24 176.95 12.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.21 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.461 HG21 ' CG ' ' A' ' 70' ' ' ARG . 9.9 t -105.07 133.62 49.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.403 HG12 ' CG2' ' A' ' 110' ' ' ILE . 80.3 t -90.07 85.75 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.229 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.466 ' CD ' ' HA2' ' A' ' 16' ' ' GLY . 11.9 mmt180 -93.79 78.57 4.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 110.218 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -48.65 -37.85 19.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.411 1.069 . . . . 0.0 110.345 179.797 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 78.5 p -86.33 130.12 34.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.085 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.537 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 162.14 171.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.641 1.213 . . . . 0.0 111.0 -179.931 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.604 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 7.8 tt0 -80.79 114.16 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.07 168.16 38.67 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.604 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 4.6 m-85 -141.05 129.95 23.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 0.715 . . . . 0.0 110.948 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.452 ' CD1' ' HB1' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -61.19 156.74 17.68 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.91 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 78' ' ' PHE . 3.2 t80 -82.48 -20.11 37.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.621 1.201 . . . . 0.0 110.966 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.34 -51.89 66.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.54 -27.05 0.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 2.3 t -84.6 161.37 20.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 0.801 . . . . 0.0 110.428 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.94 150.7 23.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 110.222 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.633 ' CD1' HG12 ' A' ' 40' ' ' VAL . 56.9 t-105 -106.14 -87.22 0.47 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.488 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 134.69 -83.64 0.28 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 2.4 m 68.14 -60.53 0.41 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.768 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 85' ' ' THR . 16.3 t 78.18 -18.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 85' ' ' THR . 0.5 OUTLIER -139.73 99.7 3.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 93' ' ' CYS . 43.0 t -91.14 40.4 1.03 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.511 1.132 . . . . 0.0 108.199 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.3 t -88.59 -12.87 41.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.375 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.8 m -89.13 -50.06 6.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.458 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.34 135.55 33.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.9 110.2 3.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.513 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -89.06 124.21 34.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 108.35 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 37' ' ' CYS . 4.2 pt20 -104.79 121.96 44.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 1.5 t -89.18 113.06 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -162.38 175.18 38.85 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.411 1.069 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.535 HD21 ' CB ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -106.8 125.91 51.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.378 0.693 . . . . 0.0 109.262 -179.936 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.508 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 29.0 t -104.35 168.33 9.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.163 . . . . 0.0 109.951 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.536 ' OD1' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -100.08 161.35 13.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.399 179.921 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.05 20.28 4.39 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.658 1.224 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.84 -36.83 6.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.379 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.81 53.4 0.81 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.592 1.183 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 105' ' ' PRO . 7.2 m120 -115.12 136.87 52.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.368 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -32.3 93.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.598 1.186 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.494 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 18.2 Cg_endo -74.98 133.03 16.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.09 147.69 23.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.283 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -157.62 165.0 33.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.072 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 7.5 p -95.99 127.01 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 109.419 179.847 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.42 91.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.597 1.185 . . . . 0.0 109.213 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.431 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.8 OUTLIER -75.01 154.42 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.373 179.886 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.496 ' O ' ' O ' ' A' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.84 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.456 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.0 OUTLIER 43.84 -166.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 110.368 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 22' ' ' ALA . . . -70.46 119.64 14.92 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.45 145.83 37.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 -179.853 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.471 ' CG1' HD12 ' A' ' 110' ' ' ILE . 3.2 t -88.88 112.01 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 109.336 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.684 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -49.48 -66.3 0.64 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 -179.933 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.684 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.99 59.72 5.26 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.552 1.817 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 111' ' ' SER . 11.1 p -89.53 28.32 1.31 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.379 1.049 . . . . 0.0 109.973 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 12' ' ' GLY . 26.2 t -114.63 133.6 55.71 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.59 1.181 . . . . 0.0 109.925 -179.874 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 11' ' ' SER . . . 32.78 53.82 0.49 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.452 ' CD2' HG12 ' A' ' 110' ' ' ILE . 0.9 OUTLIER -44.74 161.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 109.257 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -128.87 147.82 50.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 110.102 179.933 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.894 ' HD2' ' CZ ' ' A' ' 71' ' ' ARG . 5.0 m-20 -50.79 89.72 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.632 1.208 . . . . 0.0 109.228 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 91.84 50.71 2.62 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.441 HG21 ' CG1' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -90.93 125.66 35.83 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.574 0.809 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -73.23 104.2 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.501 ' HB ' ' HD2' ' A' ' 9' ' ' PRO . 3.8 m -111.93 169.06 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.605 1.191 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.26 115.9 25.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.3 t -89.87 94.28 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -88.66 117.83 27.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.322 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.456 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -99.81 113.99 4.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.448 1.093 . . . . 0.0 111.066 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.88 103.4 13.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 0.816 . . . . 0.0 109.237 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.3 34.23 89.36 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' A' ' 28' ' ' ALA . 7.7 tp -77.29 -110.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 0.786 . . . . 0.0 109.266 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.603 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -45.05 -24.61 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.507 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 63.88 24.53 13.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.907 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 119.1 -10.36 11.89 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.617 1.198 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.465 ' CA ' ' HB3' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -84.14 -161.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 0.804 . . . . 0.0 110.3 -179.901 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.594 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -148.34 153.31 38.44 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.603 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 12.9 m-85 -150.74 -169.99 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.462 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -108.46 107.22 17.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.156 -179.955 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.441 HG12 ' CB ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -76.04 141.25 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.226 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.572 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 175.36 156.05 13.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.922 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.541 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.13 95.03 9.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.315 -179.914 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 t -105.43 156.9 17.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 108.266 -179.903 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 175.1 163.84 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.37 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.6 p90 -71.85 116.39 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 108.079 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.457 HG21 ' CA ' ' A' ' 85' ' ' THR . 8.5 p -100.31 -49.1 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.525 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -82.4 -159.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.919 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.4 m -79.01 88.2 4.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.39 23.02 75.07 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.525 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 4.0 t -106.21 111.3 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.784 . . . . 0.0 109.276 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mt -71.87 109.77 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.502 ' HB3' ' CD2' ' A' ' 77' ' ' LEU . . . -124.65 144.92 49.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.5 m -110.51 151.59 27.39 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.443 1.089 . . . . 0.0 108.307 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.489 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -77.49 171.22 13.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.596 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.9 -12.46 21.74 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.554 1.818 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.6 16.18 25.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.572 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.7 t70 -87.36 6.66 32.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.596 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -108.57 94.89 5.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 -179.946 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.441 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -150.97 84.14 1.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 p -40.69 131.07 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 0.0 109.959 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 p -127.04 162.22 32.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.411 ' OG1' ' HB1' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -145.78 134.58 22.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 27' ' ' GLN . . . -106.39 135.65 47.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.339 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -60.44 161.41 7.47 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.615 1.197 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.22 -35.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -88.19 37.03 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.19 36.94 2.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.466 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 0.7 OUTLIER -94.97 92.72 7.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 0.796 . . . . 0.0 109.954 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.42 ' HB3' ' CB ' ' A' ' 57' ' ' ALA . . . -105.88 78.3 1.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 4.0 p -94.91 75.9 3.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.613 1.196 . . . . 0.0 110.095 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -109.24 131.0 55.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 110.393 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.9 p -95.3 142.88 27.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.388 1.055 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.401 HD22 ' CG1' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -146.32 179.92 7.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.2 m -104.63 129.24 52.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.328 1.018 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.485 ' CG2' HG11 ' A' ' 19' ' ' VAL . 9.9 t -88.1 90.38 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.356 1.035 . . . . 0.0 109.392 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.459 ' HD2' ' CE2' ' A' ' 73' ' ' PHE . 10.2 mmt180 -89.3 118.38 28.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.894 ' CZ ' ' HD2' ' A' ' 15' ' ' ASP . 9.9 ttp180 -87.25 -32.59 19.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 83.2 p -103.42 121.0 41.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.896 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.473 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 165.49 128.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.891 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 83' ' ' TRP . 0.8 OUTLIER -74.76 115.09 13.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.626 1.204 . . . . 0.0 110.244 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.714 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -100.38 -153.49 26.95 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.491 ' CZ ' ' HG3' ' A' ' 82' ' ' ARG . 70.3 m-85 -127.5 146.27 50.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.353 0.678 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.502 ' CD2' ' HB3' ' A' ' 46' ' ' ALA . 5.2 mt -88.64 179.93 6.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.608 1.192 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -71.76 -22.63 61.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.77 -62.39 1.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.42 -24.72 0.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.482 ' CG2' HD11 ' A' ' 77' ' ' LEU . 2.1 t -52.01 155.81 1.74 Allowed 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.417 0.716 . . . . 0.0 110.424 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 2.0 ttt180 -95.42 78.6 3.41 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.502 1.126 . . . . 0.0 110.363 179.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.714 ' O ' ' N ' ' A' ' 75' ' ' GLY . 4.0 t-105 -114.06 -84.81 0.6 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.655 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 51.19 144.21 0.0 OUTLIER Glycine 0 CA--C 1.532 1.126 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.655 ' C ' ' O ' ' A' ' 84' ' ' GLY . 1.3 m 12.25 -83.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.592 0.819 . . . . 0.0 110.431 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.61 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.5 OUTLIER 81.74 -50.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.193 . . . . 0.0 109.31 -179.926 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 89' ' ' THR . 8.4 t0 -151.49 80.79 1.29 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.366 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -69.66 60.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 108.39 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 87' ' ' ASP . 7.5 t -94.57 -5.99 44.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.5 m -150.98 -44.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.52 138.33 58.35 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.418 1.073 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.36 117.91 24.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.456 ' O ' ' CG2' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -90.93 129.06 36.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.392 1.057 . . . . 0.0 108.245 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 25.2 mt-30 -101.17 115.68 31.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.541 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 4.4 t -87.61 105.71 15.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.372 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -154.29 176.02 32.28 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.489 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -106.22 147.53 28.98 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.499 0.764 . . . . 0.0 109.254 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.14 143.13 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.13 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.576 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -81.82 159.66 23.71 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 0.0 109.202 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.85 -12.38 59.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.381 1.051 . . . . 0.0 109.198 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.48 -13.15 32.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.96 47.03 40.79 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.454 1.097 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 105' ' ' PRO . 85.9 m-20 -104.92 147.17 28.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 0.743 . . . . 0.0 109.198 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -35.58 96.63 0.01 OUTLIER Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.0 Cg_endo -75.1 150.13 37.29 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.341 1.706 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.3 107.16 18.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -103.22 151.25 17.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.432 ' CG1' ' HB ' ' A' ' 95' ' ' VAL . 9.0 p -101.38 116.67 45.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.78 92.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.471 HD12 ' CG1' ' A' ' 7' ' ' VAL . 3.8 tt -71.34 148.38 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 10' ' ' SER . 9.3 m . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.938 0 N-CA-C 110.943 -0.445 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.49 ' HB ' ' CD2' ' A' ' 26' ' ' LEU . 2.0 p 57.47 -166.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.55 1.157 . . . . 0.0 110.34 179.829 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.467 ' HA ' ' CA ' ' A' ' 23' ' ' GLY . . . -53.06 120.26 5.68 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.605 1.191 . . . . 0.0 109.337 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -143.89 144.28 31.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 0.0 110.412 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.577 ' CG2' ' CG2' ' A' ' 19' ' ' VAL . 2.9 p -107.58 137.17 40.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.597 1.185 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.574 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -32.08 -60.17 0.35 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 110.331 -179.875 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.603 ' CD ' ' CG2' ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.01 148.64 35.51 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 p -128.95 -53.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 110.032 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 t -125.36 163.8 21.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.18 35.16 68.92 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.546 1.154 . . . . 0.0 111.071 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.517 ' C ' ' CD1' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -66.75 173.36 3.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.748 . . . . 0.0 109.374 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.599 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -124.65 139.06 54.21 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.536 1.148 . . . . 0.0 109.93 -179.865 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.36 78.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.593 1.183 . . . . 0.0 109.43 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 124.64 38.46 0.51 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.3 m -88.26 103.36 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 0.711 . . . . 0.0 110.375 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.518 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.6 p -89.73 129.56 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.603 ' CG2' ' CD ' ' A' ' 9' ' ' PRO . 12.2 m -152.8 -159.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -112.15 140.14 47.09 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.381 1.051 . . . . 0.0 109.348 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 6' ' ' THR . 25.6 t -111.93 96.33 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.217 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -91.16 123.74 34.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.467 ' CA ' ' HA ' ' A' ' 5' ' ' ALA . . . -120.02 92.78 0.53 Allowed Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.39 111.98 23.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 0.738 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.99 12.49 20.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -98.17 -143.45 0.31 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 0.0 109.252 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.625 ' CD ' ' CE2' ' A' ' 32' ' ' TYR . 1.6 mm100 -40.84 89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -61.32 82.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 77.05 11.48 85.53 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.656 1.222 . . . . 0.0 111.101 -179.891 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.517 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -90.47 -175.65 4.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.611 0.83 . . . . 0.0 110.373 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.49 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -135.8 107.84 7.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 0.0 109.372 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.625 ' CE2' ' CD ' ' A' ' 27' ' ' GLN . 3.8 m-30 -117.39 -169.26 1.63 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -121.35 118.53 29.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' A' ' 97' ' ' LEU . 1.9 t -78.61 140.12 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.556 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 176.32 156.67 15.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -93.79 104.41 16.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 0.787 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 t -106.34 147.48 29.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.413 1.071 . . . . 0.0 108.266 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -168.04 156.76 9.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.7 p-90 -68.79 104.95 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.654 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -88.32 -45.31 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.468 ' CB ' ' HB ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -90.12 -162.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.394 1.059 . . . . 0.0 109.401 179.917 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -66.46 79.83 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.56 24.58 75.22 Favored Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.404 1.065 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 86.3 t -101.56 106.81 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.631 0.842 . . . . 0.0 109.283 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 mt -58.4 96.73 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.476 ' CB ' ' HB ' ' A' ' 40' ' ' VAL . . . -104.1 135.85 44.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.165 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 4.0 m -108.54 149.37 28.94 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 108.193 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.564 ' OD1' ' CG ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -85.63 174.3 5.84 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.558 1.161 . . . . 0.0 109.225 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.532 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.11 -14.23 20.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.26 8.66 44.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.556 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -89.26 11.53 18.63 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.7 m-85 -106.64 96.63 6.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.1 t -138.83 70.71 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.008 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -51.93 118.28 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.524 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 1.2 p -152.73 165.13 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.49 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -123.89 154.37 39.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.472 ' HB1' ' CB ' ' A' ' 63' ' ' ALA . . . -106.56 148.49 28.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -64.18 159.59 20.26 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.508 1.13 . . . . 0.0 109.185 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.04 -30.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.244 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.4 t-20 -89.23 35.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.596 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.14 42.76 4.3 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 14.9 m -109.31 97.81 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.353 0.678 . . . . 0.0 109.993 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.472 ' CB ' ' HB1' ' A' ' 57' ' ' ALA . . . -105.24 102.23 11.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.367 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 5.5 p -104.53 81.21 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.019 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.524 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 7.1 t -108.29 135.05 50.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 79.3 p -91.53 142.88 27.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.944 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.08 177.1 10.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.518 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 42.1 m -106.9 124.98 50.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 110.464 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.461 ' CG1' HD23 ' A' ' 13' ' ' LEU . 82.5 t -87.83 85.82 2.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.126 . . . . 0.0 109.236 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.691 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 57.8 mtt-85 -100.32 75.75 1.82 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.498 1.124 . . . . 0.0 110.169 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' ARG . 7.3 ttm180 -36.17 -31.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.89 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 2.9 m -93.11 117.4 30.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.033 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.691 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -165.93 165.7 17.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 111.049 -179.92 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.55 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 2.0 tp10 -90.97 90.56 7.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -54.07 162.11 3.71 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.496 1.123 . . . . 0.0 111.069 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.663 ' CD2' ' CB ' ' A' ' 82' ' ' ARG . 60.2 m-85 -141.72 131.15 23.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.623 0.837 . . . . 0.0 111.023 -179.828 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 83' ' ' TRP . 3.6 mp -66.33 142.15 57.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.375 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -65.29 -22.98 66.91 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -55.5 33.24 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 179.902 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.43 -28.75 0.22 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.494 1.121 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.5 t -81.94 161.71 22.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 110.355 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.663 ' CB ' ' CD2' ' A' ' 76' ' ' PHE . 22.1 ptt180 -104.75 145.01 30.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.411 179.903 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.654 ' CD1' HG13 ' A' ' 40' ' ' VAL . 32.3 t-105 -106.6 -86.33 0.49 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.649 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 140.57 -98.85 0.24 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.61 1.194 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.649 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 61.2 m 84.81 -49.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.612 0.831 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 72' ' ' SER . 96.0 t 71.22 -103.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.59 105.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -89.03 79.07 7.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 108.353 179.939 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.7 t -106.85 -32.43 7.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 110.433 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.3 m -89.11 -58.44 2.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.473 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -70.87 103.24 2.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.424 1.078 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.03 102.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.405 1.066 . . . . 0.0 109.267 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.482 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 5.0 m -83.92 126.78 33.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 108.355 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.528 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 27.6 mt-30 -105.56 117.18 33.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.575 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 1.5 t -87.0 119.84 35.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -164.35 174.4 40.41 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.436 ' HB2' ' CB ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -96.63 122.33 39.44 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.56 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 97.9 p -101.46 167.32 10.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.593 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -76.38 160.15 29.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.84 1.69 53.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.369 1.043 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.53 -73.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.22 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.38 40.43 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -128.03 148.43 50.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.77 . . . . 0.0 109.356 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.07 108.42 1.54 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.791 . . . . 0.0 111.042 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.98 143.36 35.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -134.71 171.91 22.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 3.4 p -95.0 105.1 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.558 0.799 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.02 81.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.245 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.573 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.5 OUTLIER -75.85 145.15 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.588 1.18 . . . . 0.0 109.246 -179.93 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.573 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.4 p . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.044 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.491 ' O ' HG23 ' A' ' 6' ' ' THR . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.828 0 N-CA-C 111.102 -0.384 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.473 ' HB ' ' CD2' ' A' ' 26' ' ' LEU . 29.2 p 41.83 -124.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.37 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.444 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -90.45 119.52 30.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.219 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.5 OUTLIER -146.08 144.7 30.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.6 1.188 . . . . 0.0 110.366 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.593 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 1.4 t -76.7 142.42 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.463 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.34 -54.0 1.2 Allowed Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.611 1.194 . . . . 0.0 110.489 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.08 -164.25 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -151.34 -61.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.517 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 43.7 t -133.78 162.15 32.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.621 1.2 . . . . 0.0 110.099 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.14 25.38 59.69 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 111.083 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.487 ' CD1' HG13 ' A' ' 110' ' ' ILE . 2.4 mp -77.25 175.65 9.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.43 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.4 t -132.56 159.39 39.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.052 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 7.1 t70 -65.94 60.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.593 1.183 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 158.59 32.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.1 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.412 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 16.0 m -91.51 102.32 14.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 110.434 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.525 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 7.5 p -102.89 129.48 54.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.593 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 35.4 m -151.82 -156.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 3.2 pttm -114.98 133.65 55.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.908 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.4 t -107.09 114.08 45.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.84 135.56 33.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.379 1.049 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -107.96 79.75 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.18 92.82 3.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 0.75 . . . . 0.0 109.178 -179.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.36 34.14 7.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.459 1.099 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.496 ' CD1' ' OE1' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -85.39 -144.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.641 ' CD ' ' CE2' ' A' ' 32' ' ' TYR . 1.6 mp0 -66.37 79.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.303 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.433 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . . . -59.37 91.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.05 -18.74 56.67 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.397 1.061 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.514 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.8 -179.53 5.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 0.784 . . . . 0.0 110.353 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.481 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -162.69 120.29 2.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.354 1.034 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE2' ' CD ' ' A' ' 27' ' ' GLN . 17.3 m-30 -118.32 -146.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 12.0 t70 -122.03 120.6 34.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.328 1.017 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.482 HG21 ' CG2' ' A' ' 55' ' ' VAL . 1.2 t -90.14 146.5 6.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.148 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.565 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 173.03 160.65 22.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.09 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.518 ' CG ' ' O ' ' A' ' 36' ' ' GLN . 1.9 pt20 -93.18 100.56 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 0.809 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.3 t -106.69 148.92 27.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 108.338 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -176.86 164.54 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.535 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 2.1 m95 -68.63 118.29 11.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 108.038 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.639 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -105.38 -42.92 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.615 ' OD1' ' CZ3' ' A' ' 83' ' ' TRP . 5.9 t0 -79.91 -156.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.612 1.195 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -90.77 72.13 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.405 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.69 5.3 61.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.522 ' CG1' HD23 ' A' ' 77' ' ' LEU . 2.3 t -101.22 124.07 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 0.724 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.51 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -72.26 119.36 16.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.569 ' CB ' HD21 ' A' ' 77' ' ' LEU . . . -124.79 132.21 53.37 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 76' ' ' PHE . 56.3 m -95.86 156.95 16.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 108.261 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.568 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.9 OUTLIER -84.33 162.84 50.02 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.912 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.548 ' CD ' ' HB3' ' A' ' 73' ' ' PHE . 18.5 Cg_endo -75.04 -14.35 21.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.407 ' O ' HD11 ' A' ' 67' ' ' LEU . . . -105.09 13.41 30.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.617 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.92 13.33 13.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.619 1.199 . . . . 0.0 109.269 -179.967 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -106.78 93.22 4.45 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.502 ' CB ' ' HG ' ' A' ' 67' ' ' LEU . 13.7 t -150.44 88.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.957 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' SER . 85.1 p -36.55 124.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 110.087 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.482 ' CG2' HG21 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -111.87 140.06 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.825 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.481 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 5.6 m -132.95 125.9 30.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -106.74 123.13 47.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.158 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -56.64 157.16 5.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.908 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.97 -26.2 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.612 1.195 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.443 ' N ' ' C ' ' A' ' 58' ' ' ASP . 43.2 t30 -87.92 32.14 0.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 0.0 109.38 179.86 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.52 43.76 6.36 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.411 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 19.9 m -114.57 98.61 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 0.768 . . . . 0.0 109.953 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.467 ' CB ' ' HB1' ' A' ' 57' ' ' ALA . . . -106.94 85.76 2.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.67 1.231 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.6 p -93.28 77.22 4.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.068 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.469 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 26.3 m -107.96 131.31 54.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 110.427 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 26.8 p -101.04 148.55 24.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.934 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.502 ' HG ' ' CB ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -160.64 176.5 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.178 . . . . 0.0 109.351 179.925 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 7.8 t -98.09 124.96 42.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.485 ' CG1' HG12 ' A' ' 110' ' ' ILE . 6.6 t -88.35 88.53 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.92 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -102.38 131.48 48.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.543 HH12 ' HD2' ' A' ' 87' ' ' ASP . 27.1 ttp85 -92.52 -41.22 10.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.24 -179.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.532 ' O ' ' CG ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -80.71 131.53 35.46 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.548 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 161.62 170.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.536 1.147 . . . . 0.0 110.915 180.0 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -83.93 131.54 34.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.16 157.05 38.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 111.082 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.422 ' HA ' ' O ' ' A' ' 81' ' ' THR . 6.0 m-85 -123.12 97.44 5.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.569 HD21 ' CB ' ' A' ' 46' ' ' ALA . 60.3 mt -79.04 173.42 12.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 109.226 -179.909 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -89.13 -33.43 17.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 111.057 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.8 -21.7 17.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.338 1.024 . . . . 0.0 109.22 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.564 ' O ' ' C ' ' A' ' 81' ' ' THR . . . -147.87 59.01 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.898 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.594 ' O ' ' N ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -23.86 -92.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.622 0.836 . . . . 0.0 110.394 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.494 ' N ' ' OG1' ' A' ' 81' ' ' THR . 4.7 ttt180 -52.22 81.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.639 ' CD1' HG12 ' A' ' 40' ' ' VAL . 24.6 t-105 -83.56 -87.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 167.37 -129.86 1.99 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.548 1.155 . . . . 0.0 111.065 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.571 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 2.2 m 87.64 -76.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.614 0.832 . . . . 0.0 110.352 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.44 ' O ' ' HB2' ' A' ' 72' ' ' SER . 5.8 t 73.54 -7.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.543 ' HD2' HH12 ' A' ' 71' ' ' ARG . 1.1 t70 -145.53 105.27 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 39.6 t -91.0 41.46 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 108.301 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.453 ' CA ' ' HD2' ' A' ' 71' ' ' ARG . 9.9 t -86.22 -17.51 34.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.247 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.8 m -87.98 -52.85 5.04 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.563 1.164 . . . . 0.0 110.353 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.75 149.64 21.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 109.427 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.07 117.27 22.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.367 -179.915 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.418 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -84.04 122.97 29.52 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.461 1.101 . . . . 0.0 108.238 -179.941 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 8.6 mt-30 -100.81 117.85 35.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.233 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.492 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 4.3 t -87.15 109.84 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.379 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.56 -178.03 35.14 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.415 1.072 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.481 ' CG ' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -106.25 149.01 27.28 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.1 m -105.18 130.79 53.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 103' ' ' ASN . 0.1 OUTLIER -66.0 161.32 21.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.197 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.58 0.84 55.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -104.31 -14.16 15.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.323 179.874 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.6 56.6 4.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.074 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.43 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 75.5 m-80 -117.88 144.71 45.19 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.641 0.848 . . . . 0.0 109.235 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.21 96.54 0.01 OUTLIER Glycine 0 CA--C 1.532 1.129 0 O-C-N 124.579 1.174 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.2 Cg_endo -75.03 153.62 41.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.66 1.874 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.79 108.49 19.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 0.0 110.342 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -111.07 155.12 16.3 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.449 ' CG1' ' HB ' ' A' ' 95' ' ' VAL . 12.0 p -103.13 119.26 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 124.454 0.737 . . . . 0.0 109.441 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.28 90.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.838 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.487 HG13 ' CD1' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -71.06 116.74 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.348 179.932 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.517 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 110.111 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.455 -0.768 0 N-CA-C 110.95 -0.442 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.429 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.5 p 52.62 -173.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.645 1.215 . . . . 0.0 110.387 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.421 ' HA ' ' CA ' ' A' ' 23' ' ' GLY . . . -53.38 115.52 1.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.434 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -132.78 146.05 51.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.474 179.965 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.52 HG12 ' HB ' ' A' ' 19' ' ' VAL . 2.3 t -98.19 113.54 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.369 1.043 . . . . 0.0 109.377 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.743 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -51.42 -69.75 0.29 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.389 -179.932 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.743 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.97 55.72 4.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.591 1.837 . . . . 0.0 111.072 179.936 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.7 p -87.85 16.58 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.055 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.3 p -114.11 137.4 51.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 13' ' ' LEU . . . 47.66 45.14 23.92 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.48 ' C ' ' CD1' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -43.82 169.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 0.783 . . . . 0.0 109.238 -179.928 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -141.79 144.8 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.945 179.988 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -42.67 93.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 179.903 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 79.18 56.56 3.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.069 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.507 HG22 ' CG1' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -90.33 119.95 31.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 110.447 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 t -73.48 100.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.573 ' HB ' ' HD2' ' A' ' 9' ' ' PRO . 5.2 m -106.97 177.63 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.087 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -117.16 115.69 25.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.407 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.5 t -89.53 91.43 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -88.71 109.36 20.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.382 1.051 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -110.06 132.88 11.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.565 1.165 . . . . 0.0 111.047 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.8 104.47 5.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 0.794 . . . . 0.0 109.392 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 92.41 32.83 7.94 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.515 1.135 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' ALA . 21.1 tp -99.98 -104.18 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.631 0.842 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.498 ' HB2' ' CB ' ' A' ' 57' ' ' ALA . 1.0 OUTLIER -42.31 -23.94 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.523 1.14 . . . . 0.0 110.247 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . 67.53 21.28 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 106.45 -0.12 37.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 0.0 111.029 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -90.96 -162.7 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 0.726 . . . . 0.0 110.289 -179.865 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.583 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -135.19 145.08 47.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.594 ' CE1' ' HA ' ' A' ' 99' ' ' ASP . 6.8 m-85 -152.43 -165.79 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -118.69 121.66 40.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.548 ' CG2' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -85.6 141.52 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.674 1.234 . . . . 0.0 109.283 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.54 ' HA3' ' CB ' ' A' ' 51' ' ' ASP . . . -174.07 153.04 15.92 Favored Glycine 0 CA--C 1.532 1.139 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.682 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -91.31 71.7 6.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.683 0.873 . . . . 0.0 110.297 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 94' ' ' GLN . 11.6 t -82.06 151.83 26.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.398 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -177.83 161.47 1.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 0.0 109.225 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 45' ' ' LEU . 46.3 p-90 -70.23 110.62 5.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.487 1.117 . . . . 0.0 108.0 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.575 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -100.34 -47.91 11.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.488 1.117 . . . . 0.0 109.402 179.919 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -80.77 -166.67 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.964 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -61.9 77.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 67.2 25.29 73.51 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 49.3 t -102.1 114.18 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.457 0.739 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -63.11 97.21 0.11 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.96 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.443 ' CB ' HG11 ' A' ' 40' ' ' VAL . . . -106.94 134.69 49.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.1 m -108.42 147.42 31.64 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.511 1.132 . . . . 0.0 108.251 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.638 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -79.67 163.46 58.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.518 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.5 Cg_endo -75.04 -14.55 21.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.3 7.9 45.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.373 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.54 ' CB ' ' HA3' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -88.65 15.06 8.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.912 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 14.4 m-85 -108.01 90.69 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.496 ' CB ' HG13 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -138.76 82.6 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.1 p -43.77 126.52 4.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 110.068 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.506 ' HB ' ' CD2' ' A' ' 97' ' ' LEU . 2.0 t -143.64 163.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.391 1.057 . . . . 0.0 109.359 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.564 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -140.3 151.55 45.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.449 179.973 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.498 ' CB ' ' HB2' ' A' ' 27' ' ' GLN . . . -106.82 147.77 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.073 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -62.67 159.82 15.39 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.45 -32.77 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.4 t30 -89.11 35.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.204 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.67 36.53 1.68 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.582 1.176 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 69.3 m -103.1 97.95 7.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 0.0 109.969 -179.926 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.17 88.83 2.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.551 1.157 . . . . 0.0 109.219 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 4.7 p -98.74 76.58 2.2 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.494 ' CB ' HG23 ' A' ' 55' ' ' VAL . 20.9 p -111.34 145.95 37.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.5 p -96.52 148.79 22.46 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.441 1.088 . . . . 0.0 109.939 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.61 160.21 43.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.344 179.899 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.0 t -95.72 129.18 43.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.138 . . . . 0.0 110.432 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.499 ' CG1' HD13 ' A' ' 110' ' ' ILE . 60.5 t -86.78 88.99 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.59 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 12.0 mtp180 -88.15 63.67 7.35 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 70' ' ' ARG . 25.1 ttp180 -31.57 -40.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 179.922 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 31.2 p -86.16 108.9 18.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.149 . . . . 0.0 109.938 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.638 ' CE2' ' OD1' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -157.0 165.47 36.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 179.93 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -95.48 82.51 3.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.225 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -46.13 158.02 0.37 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.464 1.102 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.505 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -136.43 123.56 21.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 110.99 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.472 HD12 ' CG2' ' A' ' 81' ' ' THR . 2.5 mp -57.36 151.63 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.382 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -26.6 62.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -55.34 -50.9 68.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.919 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.68 -28.77 0.55 Allowed Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.945 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.472 ' CG2' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -80.87 147.59 30.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 110.452 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.86 145.0 27.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.355 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.575 ' CD1' HG12 ' A' ' 40' ' ' VAL . 57.6 t-105 -105.11 -86.76 0.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.022 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.609 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 144.07 -106.86 0.43 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.609 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 6.6 m 90.38 -52.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 0.819 . . . . 0.0 110.459 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 72' ' ' SER . 89.2 t 68.74 -104.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -62.66 97.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.61 1.193 . . . . 0.0 109.248 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 8.8 t -79.94 64.59 4.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.3 t -103.66 -22.17 13.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -89.2 -51.0 5.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 110.343 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -89.54 150.98 22.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -90.43 120.83 31.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.632 1.207 . . . . 0.0 109.241 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.21 122.2 33.63 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.545 1.153 . . . . 0.0 108.262 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.537 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 33.9 mt-30 -97.97 108.63 21.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.137 . . . . 0.0 110.232 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.682 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 1.3 t -90.05 128.19 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.229 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 178.2 171.88 42.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.394 1.059 . . . . 0.0 110.989 179.91 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.548 ' HG ' ' CG2' ' A' ' 34' ' ' VAL . 0.8 OUTLIER -94.23 128.67 40.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 0.727 . . . . 0.0 109.302 179.886 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.6 p -96.43 159.49 14.92 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.526 1.141 . . . . 0.0 110.07 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.594 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -88.37 157.23 18.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 109.199 -179.875 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.4 6.12 46.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -100.3 -16.98 17.5 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.23 51.77 3.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.112 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 105' ' ' PRO . 72.9 m-20 -111.11 144.14 40.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.79 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -33.3 94.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.55 1.156 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.481 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.2 Cg_endo -75.07 111.44 3.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.48 142.39 37.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -141.25 173.42 23.35 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 11.8 p -104.93 132.17 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.76 91.5 1.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.538 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -83.69 137.62 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.208 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.4 t . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.486 1.116 . . . . 0.0 109.972 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.455 -0.778 0 N-CA-C 110.871 -0.473 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.718 HG21 ' HE2' ' A' ' 106' ' ' GLU . 30.6 p 46.94 -159.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.67 1.231 . . . . 0.0 110.402 179.859 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.428 ' N ' ' HA2' ' A' ' 23' ' ' GLY . . . -58.97 114.92 2.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -140.18 145.08 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.63 1.206 . . . . 0.0 110.326 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.535 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 4.7 t -79.83 130.66 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.602 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -39.19 -61.76 0.91 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.614 1.196 . . . . 0.0 110.387 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.602 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.94 -155.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.84 -34.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.971 179.904 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.28 37.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -92.88 19.72 49.99 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.501 1.126 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 12' ' ' GLY . 1.8 pp -35.23 -47.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 0.808 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.503 ' O ' ' OG1' ' A' ' 17' ' ' THR . 9.4 t -154.92 -124.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.501 1.126 . . . . 0.0 110.054 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER 42.74 34.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' ASP . . . 37.49 55.75 1.63 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 14' ' ' SER . 3.7 m -69.5 105.0 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 -179.889 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG23 ' CG2' ' A' ' 68' ' ' THR . 5.1 t -94.77 122.46 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.535 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -151.68 -167.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.175 -179.883 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 2.6 mttt -107.37 140.95 39.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.421 179.849 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 6' ' ' THR . 64.6 t -114.41 103.69 15.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -89.09 127.13 35.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -109.46 94.28 0.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.678 1.236 . . . . 0.0 110.948 -179.917 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.93 110.52 21.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.578 0.81 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.82 32.41 29.93 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.599 1.187 . . . . 0.0 111.129 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.485 HD21 ' CD2' ' A' ' 97' ' ' LEU . 10.9 tp -99.33 -138.08 0.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.592 ' CD ' ' CD2' ' A' ' 32' ' ' TYR . 1.6 mp0 -52.21 90.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -60.08 84.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 73.43 15.05 79.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.421 1.076 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.524 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.6 -178.44 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 0.822 . . . . 0.0 110.481 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.538 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -144.68 103.12 3.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.383 179.873 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.592 ' CD2' ' CD ' ' A' ' 27' ' ' GLN . 12.4 m-30 -114.17 170.18 8.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -90.91 112.41 24.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 179.977 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.29 144.52 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.182 . . . . 0.0 109.192 -179.918 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.639 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 169.24 161.67 20.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 111.068 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.468 ' OE1' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -98.43 107.41 19.86 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.393 0.702 . . . . 0.0 110.387 179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 2.3 t -108.0 152.82 23.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 108.335 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -172.6 165.26 5.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 109.264 179.935 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -78.69 117.9 20.26 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.582 HG11 ' CD1' ' A' ' 83' ' ' TRP . 0.9 OUTLIER -106.99 -47.55 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.239 -179.939 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.6 ' OD2' ' CZ2' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -87.99 -175.45 5.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.401 1.063 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.9 m -50.33 92.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 49.76 23.16 4.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.059 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 53.3 t -98.35 117.23 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.6 0.824 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -69.67 105.48 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -113.51 134.86 54.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.373 1.046 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.5 m -97.66 155.94 16.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 108.155 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.453 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -85.57 167.0 27.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.163 . . . . 0.0 109.25 -179.944 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.553 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.0 Cg_endo -75.05 -11.39 21.38 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.546 1.814 . . . . 0.0 110.937 -179.902 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.48 12.26 31.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.36 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.639 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -89.47 6.75 39.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.067 . . . . 0.0 109.362 179.943 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -105.99 93.02 4.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 111.037 179.938 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -149.68 85.24 1.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.617 1.198 . . . . 0.0 109.944 -179.884 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 53' ' ' SER . 28.5 t -35.31 140.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 110.058 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.53 ' CG1' ' CG2' ' A' ' 65' ' ' THR . 2.7 t -155.4 144.74 12.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.479 1.112 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.538 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -132.21 146.21 51.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 110.379 -179.927 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -105.98 143.78 33.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -63.07 158.37 19.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.41 -29.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 58' ' ' ASP . 20.6 t30 -88.4 34.72 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.91 40.21 3.09 Favored Glycine 0 CA--C 1.528 0.873 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 3.4 m -105.56 100.25 9.83 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.356 0.68 . . . . 0.0 109.959 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 57' ' ' ALA . . . -104.95 85.46 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.414 179.867 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 3.5 p -95.83 74.76 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.53 ' CG2' ' CG1' ' A' ' 55' ' ' VAL . 82.2 p -110.03 136.39 49.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.509 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 63.7 p -105.69 143.43 33.85 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.405 1.066 . . . . 0.0 110.036 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -160.11 -174.52 4.59 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.484 ' CG2' HG23 ' A' ' 18' ' ' VAL . 63.4 m -108.26 126.49 52.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.483 ' CG1' ' HB ' ' A' ' 17' ' ' THR . 4.5 p -89.22 92.42 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.468 ' N ' ' OE1' ' A' ' 36' ' ' GLN . 4.2 mmt180 -96.04 125.63 40.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 22.2 ttp180 -91.43 -39.98 11.68 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.351 1.032 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 13.6 p -85.02 131.78 34.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.049 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.511 ' HB3' ' CG ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 161.78 -177.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.952 -179.962 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.494 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 2.5 tt0 -91.34 107.19 19.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.417 ' HA3' ' OG1' ' A' ' 85' ' ' THR . . . -88.72 167.75 35.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -135.46 132.89 37.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.727 . . . . 0.0 111.032 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.525 ' CD1' ' HB2' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -53.11 176.2 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.585 1.178 . . . . 0.0 109.356 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -82.79 -27.07 31.23 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.574 1.171 . . . . 0.0 111.084 179.909 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.452 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -61.42 -57.89 10.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.49 -27.54 0.25 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -73.06 146.29 45.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 0.817 . . . . 0.0 110.404 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -81.61 139.27 35.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.6 ' CZ2' ' OD2' ' A' ' 41' ' ' ASP . 60.6 t-105 -97.06 -88.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 108.03 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.494 ' O ' ' HA ' ' A' ' 74' ' ' GLU . . . 173.04 -57.3 0.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 87' ' ' ASP . 61.8 m 69.95 -62.37 0.43 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.406 0.71 . . . . 0.0 110.488 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 72' ' ' SER . 57.6 t 66.24 -67.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 179.879 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 85' ' ' THR . 0.5 OUTLIER -143.79 96.2 2.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.4 1.063 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 4.0 t -68.33 67.23 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 108.259 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 87' ' ' ASP . 9.7 t -106.31 -12.87 15.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.044 . . . . 0.0 110.445 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 91' ' ' ALA . 10.0 t -89.24 -55.01 3.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.01 130.78 36.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.75 115.06 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.343 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -81.94 124.08 29.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 108.352 179.913 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.9 pt20 -101.59 123.36 45.48 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.411 1.069 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 44.0 t -87.44 114.89 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.576 1.172 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.16 170.12 38.51 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.485 ' CD2' HD21 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -107.52 133.39 52.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.6 p -103.3 154.93 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.513 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -64.23 160.71 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 -179.952 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.38 -3.08 38.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.235 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.08 -87.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -173.35 37.12 0.13 Allowed Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.439 1.087 . . . . 0.0 110.99 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -147.87 151.4 35.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.233 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 177.68 66.22 0.06 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.521 1.138 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 1.68 7.48 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.523 1.802 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.718 ' HE2' HG21 ' A' ' 4' ' ' THR . 3.8 mm-40 -82.31 149.89 27.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 140.74 147.97 5.04 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 -179.922 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.3 p -104.41 128.76 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.431 0.724 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.09 90.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.5 tp -81.08 159.61 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 4.4 p . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.573 1.171 . . . . 0.0 110.01 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.423 ' C ' ' CG2' ' A' ' 4' ' ' THR . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.81 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.497 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 0.5 OUTLIER 57.25 -164.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.335 179.927 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.425 ' HB2' ' CD2' ' A' ' 97' ' ' LEU . . . -74.23 127.49 33.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -137.08 143.78 42.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.406 1.066 . . . . 0.0 110.382 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.507 ' HB ' ' CD1' ' A' ' 110' ' ' ILE . 3.5 t -88.32 113.11 24.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.563 1.165 . . . . 0.0 109.307 179.899 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.728 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -51.27 -68.7 0.36 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.95 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.728 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.05 52.24 3.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -87.4 -0.55 56.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 p -93.2 128.18 39.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.065 179.904 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 41.16 47.92 4.39 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.509 HD23 ' CG1' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -73.16 173.35 9.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 0.729 . . . . 0.0 109.266 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 69' ' ' VAL . 1.6 t -135.85 153.19 51.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.051 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -61.19 99.24 0.09 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.45 ' HA2' ' CG2' ' A' ' 68' ' ' THR . . . 112.99 24.62 4.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.34 126.32 39.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 0.751 . . . . 0.0 110.429 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -72.83 115.68 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.481 ' CG2' HG12 ' A' ' 7' ' ' VAL . 5.1 m -120.7 162.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.328 1.017 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.68 115.73 29.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 t -91.47 91.04 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.61 112.15 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.497 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -110.84 139.9 15.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.436 1.085 . . . . 0.0 111.077 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.04 118.7 9.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.28 -179.932 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 85.78 9.53 77.81 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -71.41 -107.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.618 ' OE1' ' CD1' ' A' ' 32' ' ' TYR . 17.2 mm-40 -49.79 -21.44 1.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.43 1.081 . . . . 0.0 110.245 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 64.13 17.01 10.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 124.74 -8.27 8.22 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.579 1.174 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.459 ' CA ' ' HB3' ' A' ' 27' ' ' GLN . 1.3 m -80.87 -161.42 0.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 0.757 . . . . 0.0 110.474 179.933 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.534 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -143.53 122.37 12.69 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.622 ' CE1' ' HA ' ' A' ' 99' ' ' ASP . 0.9 OUTLIER -123.84 176.24 6.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.409 1.068 . . . . 0.0 111.025 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 15.2 t0 -100.94 126.39 47.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.449 HG12 ' CB ' ' A' ' 53' ' ' SER . 0.7 OUTLIER -86.06 139.82 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.445 179.898 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.526 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 173.41 148.93 6.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.095 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.726 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -91.97 108.71 20.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.566 0.804 . . . . 0.0 110.348 179.912 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.1 t -108.14 149.36 28.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 108.299 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -174.01 154.72 2.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.5 p-90 -62.15 115.47 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.645 HG11 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -98.17 -42.02 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -84.23 -154.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.509 ' O ' ' CG2' ' A' ' 42' ' ' THR . 6.6 t -75.77 56.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.453 179.901 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.46 1.16 57.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.455 1.097 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.452 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 21.1 t -78.97 113.61 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.426 0.721 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 104.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.388 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.528 ' CB ' ' CG1' ' A' ' 40' ' ' VAL . . . -114.71 134.89 54.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.366 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.8 m -101.48 156.06 17.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 108.339 179.944 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.607 ' N ' HD21 ' A' ' 48' ' ' ASN . 1.2 m120 -85.7 165.73 33.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.4 Cg_endo -75.04 -9.86 20.9 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.461 1.769 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.66 14.01 29.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.544 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -87.92 7.39 31.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.237 -179.917 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 2.2 m-85 -105.79 90.33 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.065 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 54' ' ' SER . 0.3 OUTLIER -145.73 84.01 1.66 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.123 . . . . 0.0 109.987 179.957 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 53' ' ' SER . 14.5 t -33.15 143.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.498 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 1.3 p -152.05 149.71 13.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.223 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.534 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -137.03 138.82 40.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.43 179.982 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.507 ' CB ' ' HB2' ' A' ' 27' ' ' GLN . . . -105.69 136.72 44.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 1.045 . . . . 0.0 109.394 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.646 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -58.65 162.31 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -36.99 -37.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -87.85 38.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.367 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.646 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.58 38.95 1.63 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.47 1.106 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -93.99 93.58 7.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 0.79 . . . . 0.0 109.992 179.964 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.29 79.85 1.43 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.455 1.097 . . . . 0.0 109.225 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 p -91.44 77.66 5.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.065 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.498 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 3.8 t -109.18 146.05 34.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.359 1.037 . . . . 0.0 110.348 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.0 p -106.32 149.34 27.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.961 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.53 174.6 13.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.45 ' CG2' ' HA2' ' A' ' 16' ' ' GLY . 52.3 m -106.42 135.46 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.358 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.509 ' CG1' HD23 ' A' ' 13' ' ' LEU . 25.1 t -88.73 90.91 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.602 1.189 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' ARG . 1.2 mtt180 -100.87 69.59 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 110.232 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -36.01 -38.32 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.609 1.193 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 9.8 p -79.52 110.41 14.8 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.595 ' CE1' ' ND2' ' A' ' 48' ' ' ASN . 8.2 p90 -157.82 147.77 20.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.472 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 58.8 tt0 -80.44 79.05 7.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -37.79 150.65 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.105 . . . . 0.0 111.049 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -137.02 117.4 13.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.578 0.81 . . . . 0.0 110.985 179.945 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.462 ' CD1' HG21 ' A' ' 81' ' ' THR . 6.8 mt -56.78 124.61 19.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -55.66 -25.57 40.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 111.049 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -52.48 -48.9 65.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.384 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.0 -24.54 0.48 Allowed Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.517 1.136 . . . . 0.0 111.074 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.462 HG21 ' CD1' ' A' ' 77' ' ' LEU . 10.7 t -89.6 145.57 25.17 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.427 0.722 . . . . 0.0 110.461 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.49 142.59 27.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.245 -179.891 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.645 ' CD1' HG11 ' A' ' 40' ' ' VAL . 67.5 t-105 -104.91 -89.07 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 107.989 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.613 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 141.44 -106.19 0.46 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.533 1.146 . . . . 0.0 110.8 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.613 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 58.0 m 82.29 -50.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 0.748 . . . . 0.0 110.392 -179.899 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 85' ' ' THR . 93.5 t 69.08 -103.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -49.58 95.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 40.5 t -81.81 52.7 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 108.201 -179.922 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.9 t -93.5 -22.53 18.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 m -88.55 -50.91 5.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.401 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -89.39 149.74 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.233 -179.877 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.79 118.32 28.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.424 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -90.63 122.04 33.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.608 1.192 . . . . 0.0 108.237 -179.929 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 29.5 mt-30 -94.37 112.43 24.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.493 HG22 ' CD1' ' A' ' 110' ' ' ILE . 36.9 t -87.86 114.74 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -165.72 175.73 41.33 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.486 ' CD1' ' HG ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -106.47 124.16 49.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.804 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.6 p -97.16 167.09 11.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.389 1.055 . . . . 0.0 109.932 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.622 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -76.13 160.81 29.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.29 -4.51 30.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.18 -29.96 17.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.8 46.52 2.08 Favored Glycine 0 CA--C 1.532 1.134 0 O-C-N 124.453 1.095 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 70.5 m-80 -148.28 161.54 41.3 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.467 0.746 . . . . 0.0 109.202 -179.888 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.62 100.94 2.57 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.613 1.196 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 50.06 2.4 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.434 1.755 . . . . 0.0 110.962 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.3 119.72 31.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.93 148.94 7.92 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.342 1.026 . . . . 0.0 111.075 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.6 p -97.77 137.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.56 94.31 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.614 1.196 . . . . 0.0 109.366 179.872 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.621 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.7 OUTLIER -79.26 139.79 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.2 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.957 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.414 ' HD2' ' CB ' ' A' ' 24' ' ' ALA . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.033 -0.41 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 1.3 p 54.94 -145.89 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.221 179.93 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.475 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -77.11 122.39 24.92 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -143.8 144.93 32.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.465 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.529 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 2.7 t -76.94 134.12 29.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.217 -179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.559 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -41.69 -59.65 2.35 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 -179.956 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.559 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.11 -160.89 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.52 -44.85 0.68 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -80.74 68.18 6.89 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.945 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -61.3 -9.67 17.71 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.924 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.548 ' CD2' ' O ' ' A' ' 111' ' ' SER . 4.2 pp -67.87 61.25 0.07 Allowed 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.498 0.763 . . . . 0.0 109.334 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -136.75 127.33 26.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.912 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 14' ' ' SER . 11.9 p-10 -33.78 94.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.58 1.175 . . . . 0.0 109.382 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 51.31 68.53 1.47 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.438 1.086 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.521 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 2.1 m -69.58 109.54 4.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.462 0.742 . . . . 0.0 110.377 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.477 HG22 ' CG2' ' A' ' 68' ' ' THR . 3.5 t -89.34 118.33 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.529 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 0.6 OUTLIER -150.2 -171.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.927 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.01 137.15 51.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.0 t -110.78 105.16 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.98 130.01 35.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.501 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -105.84 109.12 3.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.127 . . . . 0.0 111.07 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.414 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . . . -92.99 110.78 22.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 0.79 . . . . 0.0 109.387 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.76 40.95 99.01 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.522 ' HG ' ' CG ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -86.13 -122.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 0.752 . . . . 0.0 109.373 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.582 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 7.4 mm-40 -41.71 -24.48 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.461 1.1 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.553 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 56.95 56.34 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 93.73 -27.86 11.58 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.529 ' HB ' ' CD ' ' A' ' 27' ' ' GLN . 2.7 m -65.3 -159.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 0.773 . . . . 0.0 110.441 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.548 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -153.28 129.24 10.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 109.271 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.747 ' CE1' ' HA ' ' A' ' 99' ' ' ASP . 1.5 m-30 -132.36 -167.63 1.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 111.021 179.918 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -117.81 117.74 30.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' A' ' 97' ' ' LEU . 2.0 t -77.36 150.39 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.12 . . . . 0.0 109.234 -179.881 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.564 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 169.77 148.5 5.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.575 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -92.3 82.86 4.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.342 0.672 . . . . 0.0 110.32 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 94' ' ' GLN . 10.1 t -92.73 151.59 19.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.19 -179.899 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -171.42 171.78 5.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.573 ' CD1' HD13 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -77.21 122.49 25.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.995 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.492 ' CG1' HD23 ' A' ' 77' ' ' LEU . 6.2 p -101.65 -49.07 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.203 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.496 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -89.52 -159.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -81.47 91.83 6.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.855 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.31 8.5 75.28 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.542 1.151 . . . . 0.0 111.044 -179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.496 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 6.4 t -96.48 112.25 28.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.628 0.84 . . . . 0.0 109.242 -179.951 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.573 HD13 ' CD1' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -75.32 120.49 20.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.934 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.51 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . . . -130.4 143.01 50.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 3.7 m -110.75 149.59 30.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.212 -179.876 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.579 ' ND2' ' N ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -82.51 171.94 10.67 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.943 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -74.88 -10.07 21.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.307 1.688 . . . . 0.0 111.051 179.903 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.23 13.56 32.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.564 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -89.03 9.22 26.03 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.405 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 9.0 m-85 -106.52 98.8 8.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.3 t -144.97 79.02 1.58 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.42 1.075 . . . . 0.0 109.961 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.6 p -56.5 126.59 27.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.431 1.082 . . . . 0.0 109.987 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.496 ' CG1' HG22 ' A' ' 34' ' ' VAL . 9.8 p -154.69 161.26 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.548 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -124.9 148.73 48.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.975 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.415 ' CB ' ' HB2' ' A' ' 27' ' ' GLN . . . -92.78 137.43 32.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.431 1.082 . . . . 0.0 109.401 179.844 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER -64.52 160.75 18.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.24 -37.89 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.38 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -87.96 38.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.41 1.069 . . . . 0.0 109.359 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.642 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.95 37.44 1.39 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 49.4 m -96.62 99.89 11.49 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.42 0.717 . . . . 0.0 109.926 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.9 87.15 2.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.8 p -95.62 81.2 3.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.077 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.467 ' CB ' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -107.76 133.54 52.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.922 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.4 p -92.74 138.36 31.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.944 -179.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.66 167.45 29.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.477 ' CG2' HG22 ' A' ' 18' ' ' VAL . 51.1 m -106.65 141.97 37.05 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.431 1.082 . . . . 0.0 110.442 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.405 ' HB ' ' HB ' ' A' ' 17' ' ' THR . 21.8 t -88.18 87.37 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.382 1.051 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -87.02 72.6 10.04 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.483 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 4.6 ttm180 -45.69 -36.06 4.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.636 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 17.2 p -104.08 128.31 51.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.04 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 72' ' ' SER . 0.4 OUTLIER 160.58 126.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.427 1.079 . . . . 0.0 111.029 -179.943 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 83' ' ' TRP . 17.1 tt0 -80.28 122.57 27.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -111.5 -140.19 8.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.423 1.077 . . . . 0.0 110.889 -179.878 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 47' ' ' CYS . 42.2 p90 -130.77 150.61 51.86 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.45 0.735 . . . . 0.0 110.951 -179.907 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.51 ' HA ' ' CB ' ' A' ' 46' ' ' ALA . 1.3 mt -88.15 175.47 7.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.401 179.887 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -60.1 -27.97 67.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 111.064 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.04 -59.66 2.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.112 . . . . 0.0 109.257 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.66 -27.92 0.2 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.422 ' HB ' ' CD1' ' A' ' 77' ' ' LEU . 32.1 m -40.25 130.43 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 0.781 . . . . 0.0 110.434 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -75.51 74.01 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.972 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.663 ' O ' ' N ' ' A' ' 75' ' ' GLY . 1.9 t90 -112.99 -79.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.661 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 55.8 132.69 0.01 OUTLIER Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.661 ' C ' ' O ' ' A' ' 84' ' ' GLY . 8.4 m 11.88 -81.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 0.712 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.622 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.4 OUTLIER 86.26 -42.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.597 1.186 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.453 ' N ' HG13 ' A' ' 86' ' ' VAL . 7.0 t0 -153.8 91.59 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.609 1.193 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.483 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -80.55 53.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.359 1.037 . . . . 0.0 108.295 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.5 t -92.46 -5.95 50.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 m -144.7 -46.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.433 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.86 135.03 43.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.378 1.049 . . . . 0.0 109.247 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.96 126.5 31.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.228 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.84 123.76 34.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.29 179.935 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.575 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 31.3 mt-30 -94.19 103.09 15.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.554 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 2.0 t -87.45 114.74 26.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 124.534 1.146 . . . . 0.0 109.197 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -166.1 171.27 41.13 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.543 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -98.47 120.96 39.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 0.818 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 104' ' ' GLY . 3.9 m -106.84 170.59 7.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.043 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.747 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -51.75 164.88 0.21 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.604 1.19 . . . . 0.0 109.233 -179.926 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.47 -30.75 42.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.0 10.99 14.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.561 1.163 . . . . 0.0 109.207 -179.934 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 99' ' ' ASP . . . 66.15 33.33 84.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.954 179.904 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.43 ' O ' ' OD2' ' A' ' 99' ' ' ASP . 66.4 m-20 -102.88 156.73 17.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.4 ' O ' ' OG ' ' A' ' 98' ' ' SER . . . 101.99 121.43 4.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.394 1.059 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 49.62 2.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.569 1.826 . . . . 0.0 111.046 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.49 121.22 33.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.408 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . 151.07 154.82 6.67 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 p -106.2 139.81 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.234 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.49 90.34 2.2 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.946 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.5 ' O ' ' CB ' ' A' ' 111' ' ' SER . 2.3 tp -90.17 153.3 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.548 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 1.6 m . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.006 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.489 ' HG2' ' CG2' ' A' ' 6' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.451 -0.983 0 N-CA-C 111.078 -0.393 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 25.4 p 40.7 -122.61 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.471 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -85.54 127.69 34.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 109.329 -179.909 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.489 ' CG2' ' HG2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -149.8 143.38 25.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.613 1.195 . . . . 0.0 110.346 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.493 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.0 t -74.49 130.79 35.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.491 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.12 -55.94 1.27 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 0.0 110.363 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.493 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.97 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.605 1.845 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 m -137.55 -52.91 0.66 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 111' ' ' SER . 88.3 p -77.54 90.37 3.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.419 1.074 . . . . 0.0 109.938 -179.926 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.454 ' CA ' HG13 ' A' ' 69' ' ' VAL . . . -65.79 -4.64 20.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.106 . . . . 0.0 111.052 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.55 ' CD1' ' O ' ' A' ' 111' ' ' SER . 1.0 OUTLIER -72.53 54.08 0.32 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 0.759 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -130.52 121.15 25.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.93 179.968 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' A' ' 14' ' ' SER . 1.8 t70 -34.61 93.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.332 179.905 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 40.51 69.72 0.45 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.401 1.063 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.48 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.3 OUTLIER -75.4 122.36 23.68 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.449 0.735 . . . . 0.0 110.404 -179.956 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.423 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.9 t -94.16 121.97 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.457 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -148.2 -171.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.55 136.05 54.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.902 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.486 HG12 ' CG2' ' A' ' 65' ' ' THR . 2.7 t -99.96 113.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -87.67 127.23 35.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.212 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 4' ' ' THR . . . -103.86 109.0 3.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 0.0 111.058 179.862 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.43 89.98 3.16 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.48 0.753 . . . . 0.0 109.354 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.94 32.4 6.5 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -88.89 -136.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 0.785 . . . . 0.0 109.369 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.585 ' CD ' ' CZ ' ' A' ' 32' ' ' TYR . 7.3 mm-40 -61.46 91.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.29 81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.375 1.047 . . . . 0.0 109.193 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 82.52 4.83 89.97 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.411 1.07 . . . . 0.0 111.074 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.556 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -89.88 -178.21 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 0.807 . . . . 0.0 110.341 -179.934 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.526 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -141.51 112.65 7.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.434 1.084 . . . . 0.0 109.203 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.585 ' CZ ' ' CD ' ' A' ' 27' ' ' GLN . 6.8 m-30 -116.62 -169.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -118.93 114.67 22.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.528 HG23 ' CG2' ' A' ' 65' ' ' THR . 2.5 t -73.9 146.97 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.609 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 170.08 149.99 6.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -92.54 100.0 12.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.634 0.844 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 3.9 t -106.27 168.98 8.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 108.329 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 37' ' ' CYS . . . 167.94 162.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 109.376 -179.95 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 14.3 p90 -75.24 109.7 8.96 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.954 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.489 HG22 ' CD1' ' A' ' 83' ' ' TRP . 8.8 p -86.84 -52.33 11.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.505 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -89.53 -169.61 2.54 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.33 1.019 . . . . 0.0 109.231 -179.938 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.2 m -59.89 94.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.47 18.57 30.44 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.533 1.146 . . . . 0.0 110.914 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.505 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 48.6 t -92.53 105.77 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.419 0.717 . . . . 0.0 109.362 179.908 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.71 106.72 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.514 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . . . -121.17 148.26 44.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.429 ' O ' ' HA3' ' A' ' 75' ' ' GLY . 13.2 m -115.82 153.82 30.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 108.31 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.544 ' ND2' ' N ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -82.34 172.69 8.98 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 124.428 1.08 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.585 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.05 -11.63 21.39 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.81 18.73 21.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.609 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -87.25 7.22 29.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -108.3 101.74 10.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.613 1.195 . . . . 0.0 110.978 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.489 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 23.1 t -151.34 80.56 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.1 p -49.34 129.15 18.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.484 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -150.46 160.34 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.526 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -136.06 147.02 47.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -107.48 145.73 32.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -70.96 157.4 38.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 0.0 109.337 179.981 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.92 -26.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.618 1.199 . . . . 0.0 109.337 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 58' ' ' ASP . 20.2 t-20 -87.1 34.59 0.68 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.13 36.04 1.89 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.296 0.998 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 1.3 m -97.88 96.75 8.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 0.703 . . . . 0.0 109.962 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.494 ' CB ' ' HB1' ' A' ' 57' ' ' ALA . . . -96.29 88.9 4.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.395 1.06 . . . . 0.0 109.408 179.887 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.6 p -88.35 81.55 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.087 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.528 ' CG2' HG23 ' A' ' 34' ' ' VAL . 10.0 t -106.09 169.86 8.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 -179.887 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.4 p -150.89 143.85 24.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.695 1.247 . . . . 0.0 109.851 -179.911 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 tp -166.36 176.5 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 179.915 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 17' ' ' THR . 18.4 m -108.41 143.48 37.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.64 1.213 . . . . 0.0 110.461 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.454 HG13 ' CA ' ' A' ' 12' ' ' GLY . 14.1 t -88.47 86.42 2.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 109.339 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.656 ' O ' ' CE2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -87.09 71.53 10.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.392 1.058 . . . . 0.0 110.23 -179.869 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.475 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 3.0 tmm_? -35.81 -37.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.487 ' O ' ' HB3' ' A' ' 73' ' ' PHE . 97.6 p -104.05 134.88 46.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.682 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER 163.08 119.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.507 ' HB2' ' CG2' ' A' ' 86' ' ' VAL . 29.3 tt0 -77.87 116.12 18.13 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 179.878 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -105.22 -146.78 15.08 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.54 1.15 . . . . 0.0 110.919 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.543 ' CD2' ' O ' ' A' ' 77' ' ' LEU . 3.3 p90 -130.02 152.07 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 111.058 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 76' ' ' PHE . 1.1 mt -89.84 174.31 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.209 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -62.94 -22.93 67.14 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.586 1.179 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -79.37 -57.4 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.247 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.58 -25.2 0.28 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.494 1.122 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 77' ' ' LEU . 2.9 m -47.18 133.84 11.51 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 124.475 0.75 . . . . 0.0 110.553 179.919 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -80.04 76.09 6.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.6 1.188 . . . . 0.0 110.359 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.599 ' O ' ' N ' ' A' ' 75' ' ' GLY . 1.6 t90 -111.09 -84.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.01 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.679 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 56.51 121.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.423 1.077 . . . . 0.0 111.023 -179.904 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.633 ' C ' ' O ' ' A' ' 84' ' ' GLY . 47.2 m 16.51 -81.74 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 124.502 0.766 . . . . 0.0 110.445 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.679 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.4 OUTLIER 87.96 -34.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.656 1.222 . . . . 0.0 109.387 -179.984 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.486 ' N ' HG12 ' A' ' 86' ' ' VAL . 8.4 t0 -159.78 93.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.381 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.475 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -69.86 61.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 108.23 -179.898 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.465 ' CG2' ' CG ' ' A' ' 87' ' ' ASP . 33.9 p -105.52 -5.8 19.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.589 1.181 . . . . 0.0 110.356 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.0 m -150.08 -45.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 -179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.42 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -74.49 135.24 42.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.607 1.192 . . . . 0.0 109.237 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.26 107.7 18.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.418 ' SG ' HG23 ' A' ' 85' ' ' THR . 0.6 OUTLIER -87.6 125.59 34.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.627 1.204 . . . . 0.0 108.327 179.993 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.476 ' O ' ' CG ' ' A' ' 94' ' ' GLN . 2.5 pt20 -100.23 119.64 38.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.396 179.889 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.509 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 1.8 t -89.49 120.27 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.379 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.07 174.77 44.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.495 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -105.72 128.56 53.76 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 0.777 . . . . 0.0 109.326 179.912 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.482 ' CB ' ' HB3' ' A' ' 105' ' ' PRO . 55.2 p -97.26 163.67 12.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -86.68 158.99 19.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.376 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.39 11.44 14.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.924 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -104.08 -22.91 13.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.64 52.94 2.86 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 105' ' ' PRO . 88.5 m-20 -116.07 152.35 33.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 0.816 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -33.89 95.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.434 1.084 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.482 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 18.4 Cg_endo -75.09 139.68 24.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.78 142.16 28.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.17 156.04 27.36 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.424 1.078 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.06 124.23 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 0.735 . . . . 0.0 109.226 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.0 93.54 0.2 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.422 ' O ' ' HB2' ' A' ' 111' ' ' SER . 1.2 tp -92.74 142.43 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.55 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.557 0 O-C-N 124.586 1.179 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 111.05 -0.404 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.466 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.1 p 52.11 -153.65 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.421 ' CB ' HD23 ' A' ' 26' ' ' LEU . . . -75.47 128.04 34.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.383 179.904 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.55 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.6 OUTLIER -149.48 179.14 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 -179.941 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.573 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 4.6 t -114.58 127.34 72.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.753 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -35.7 -69.7 0.16 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.934 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.753 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.01 -160.91 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.573 1.828 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -139.37 -45.23 0.45 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.432 1.083 . . . . 0.0 109.956 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -62.74 74.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.959 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 10' ' ' SER . . . -61.56 -8.92 15.61 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.549 ' CD1' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -78.81 51.67 1.13 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.41 0.712 . . . . 0.0 109.354 179.931 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -126.15 120.67 30.72 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.407 1.067 . . . . 0.0 109.98 179.959 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' SER . 21.5 p-10 -36.1 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 39.51 69.81 0.39 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.514 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.3 OUTLIER -77.33 117.61 19.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 0.0 110.424 179.95 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -85.58 114.25 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.355 179.923 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.488 HG13 ' CG ' ' A' ' 9' ' ' PRO . 33.8 m -134.66 -171.69 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.213 -179.891 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -113.23 134.68 54.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 6' ' ' THR . 4.9 t -109.74 102.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.45 133.17 33.79 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.356 1.035 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -123.09 77.21 0.35 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.43 1.081 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.0 125.09 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.424 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 89.25 15.33 59.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.88 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.48 HD23 ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -84.77 -146.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 -179.933 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.484 ' HB3' ' CB ' ' A' ' 30' ' ' THR . 3.5 mt-30 -76.11 84.33 2.96 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.694 1.247 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.532 ' HB3' ' CA ' ' A' ' 61' ' ' GLY . . . -66.18 115.51 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.51 -22.78 35.46 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.472 1.108 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.484 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.11 -177.81 5.0 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.549 0.793 . . . . 0.0 110.388 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.422 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -148.81 154.79 40.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.383 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.707 ' CE1' ' CD2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -150.33 -169.03 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.406 1.066 . . . . 0.0 110.975 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.89 116.78 32.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.526 ' CG1' ' CD1' ' A' ' 67' ' ' LEU . 43.1 t -79.26 130.49 36.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.622 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 179.62 163.05 29.73 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.632 1.207 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.528 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -96.23 101.63 13.31 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.527 0.78 . . . . 0.0 110.257 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 5.7 t -108.11 154.12 22.16 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.478 1.111 . . . . 0.0 108.319 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 175.62 170.8 0.35 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.421 1.076 . . . . 0.0 109.345 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.5 p-90 -75.56 112.79 12.27 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.598 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -102.62 -50.91 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.177 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.525 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 0.6 OUTLIER -91.35 170.2 10.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.487 ' C ' ' O ' ' A' ' 41' ' ' ASP . 97.5 m -31.9 96.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.381 1.051 . . . . 0.0 110.255 -179.924 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 40.22 27.17 0.13 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.146 . . . . 0.0 110.954 179.897 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.472 HG13 ' CD2' ' A' ' 77' ' ' LEU . 2.1 t -100.37 118.27 46.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.215 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -68.39 107.99 3.07 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.487 ' CB ' HG11 ' A' ' 40' ' ' VAL . . . -121.35 137.76 54.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.215 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 34.4 m -101.31 154.69 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.206 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.629 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 2.1 m120 -75.35 161.6 76.17 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.475 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.6 Cg_endo -74.93 -15.57 20.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.385 1.729 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.67 18.21 21.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.622 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.82 5.26 41.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 3.1 m-85 -96.72 86.72 4.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.3 t -137.37 74.55 1.49 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 109.904 -179.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.422 ' O ' HG23 ' A' ' 55' ' ' VAL . 50.3 p -43.29 125.79 3.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.077 179.922 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.512 ' CG1' ' N ' ' A' ' 56' ' ' THR . 2.1 t -147.66 164.76 6.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.512 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -133.37 160.51 37.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 179.924 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.92 138.19 42.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -67.88 155.66 38.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.53 -31.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' A' ' 58' ' ' ASP . 5.9 t30 -88.41 35.34 0.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.373 1.046 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 38.03 42.76 1.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.478 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 73.6 m -113.3 106.78 15.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 0.741 . . . . 0.0 110.034 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.44 88.9 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.367 179.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -93.97 79.45 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.927 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.507 ' CG2' HG21 ' A' ' 34' ' ' VAL . 8.8 t -109.07 136.87 47.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 110.474 179.899 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.5 p -89.31 139.16 30.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.526 ' CD1' ' CG1' ' A' ' 34' ' ' VAL . 2.5 mt -143.2 165.53 27.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.9 t -105.65 134.46 48.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.467 ' CG1' ' HA2' ' A' ' 12' ' ' GLY . 40.4 t -89.61 83.32 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.755 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 24.3 mtt-85 -103.95 67.47 0.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.459 ' NH1' ' O ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -37.25 -30.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.52 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 13.3 p -90.4 120.23 31.35 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.912 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.755 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -177.02 170.41 2.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.454 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 20.6 tt0 -94.25 104.81 16.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.81 161.5 43.38 Favored Glycine 0 CA--C 1.532 1.142 0 O-C-N 124.393 1.058 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 80' ' ' GLY . 13.6 t80 -134.79 118.67 17.28 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.679 0.87 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.472 ' CD2' HG13 ' A' ' 44' ' ' VAL . 1.7 mp -55.59 136.9 49.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.504 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.7 t80 -60.82 -25.83 66.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.891 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -55.83 -50.5 70.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.576 ' O ' ' CE1' ' A' ' 76' ' ' PHE . . . 156.53 -24.46 0.51 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.8 m -82.66 161.63 22.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.413 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -100.45 142.23 32.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.598 ' CD1' HG12 ' A' ' 40' ' ' VAL . 55.3 t-105 -105.69 -89.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.677 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 141.24 -98.82 0.23 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.541 1.151 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.677 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 96.3 m 82.76 -50.77 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 110.443 -179.9 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 72' ' ' SER . 98.3 t 72.99 -104.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.29 104.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 4.6 t -86.05 63.92 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 108.233 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.4 t -102.79 -22.27 13.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.598 1.186 . . . . 0.0 110.364 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.8 m -88.92 -47.22 8.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.435 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.418 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.66 143.78 26.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.53 98.6 11.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.639 1.212 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 21.3 m -75.9 132.83 40.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 108.328 179.934 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 10.8 mt-30 -102.65 118.16 36.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.528 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 2.6 t -87.86 112.04 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.207 -179.916 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -161.08 177.15 37.56 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.707 ' CD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -106.08 131.53 53.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.631 0.842 . . . . 0.0 109.346 179.939 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 26.2 t -105.33 142.09 35.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.944 -179.94 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -74.78 159.88 31.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.82 2.26 53.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.86 -18.61 20.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.94 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.53 51.58 3.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.583 1.177 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 105' ' ' PRO . 13.3 m120 -107.83 148.53 29.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 0.71 . . . . 0.0 109.246 -179.905 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.15 97.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.586 1.179 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.8 Cg_endo -74.84 126.62 10.19 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.526 1.803 . . . . 0.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.56 122.15 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.214 -179.931 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -131.84 153.15 20.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.544 1.153 . . . . 0.0 111.017 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.426 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 2.9 p -104.52 116.35 48.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.478 0.752 . . . . 0.0 109.233 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.67 90.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.459 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 1.1 tp -93.84 138.93 19.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.44 1.087 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.549 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.92 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.504 ' C ' ' CG2' ' A' ' 4' ' ' THR . 18.0 Cg_endo . . . . . 0 N--CA 1.455 -0.765 0 N-CA-C 110.921 -0.453 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.504 ' CG2' ' C ' ' A' ' 3' ' ' PRO . 1.1 p 67.43 -164.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.437 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 22' ' ' ALA . . . -78.54 125.91 30.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.16 -179.884 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -134.52 143.86 47.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.462 179.967 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.652 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -83.94 125.19 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.377 1.048 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.731 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -29.01 -69.62 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.384 -179.96 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.731 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.92 -160.82 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.638 1.862 . . . . 0.0 111.076 179.878 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -148.72 -71.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.398 1.061 . . . . 0.0 109.948 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.8 t -111.42 150.92 29.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.604 1.19 . . . . 0.0 109.926 -179.893 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.08 37.85 6.18 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.517 1.135 . . . . 0.0 111.155 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.476 ' CD1' HG23 ' A' ' 110' ' ' ILE . 2.3 mt -90.13 153.37 20.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 16' ' ' GLY . 6.6 t -120.82 154.83 35.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.431 ' HA ' ' N ' ' A' ' 71' ' ' ARG . 1.7 t0 -58.16 79.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 124.37 38.41 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.558 1.162 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.2 m -89.19 109.02 19.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.762 . . . . 0.0 110.429 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -73.64 122.69 27.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.517 ' CG2' HG12 ' A' ' 7' ' ' VAL . 35.7 m -140.25 160.25 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.381 1.051 . . . . 0.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -95.85 124.63 39.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 6' ' ' THR . 53.3 t -98.99 100.32 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.585 1.178 . . . . 0.0 109.243 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.431 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -89.22 117.8 28.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 179.898 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -111.16 135.9 13.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.361 1.038 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.82 122.42 17.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 63.95 21.89 66.09 Favored Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.404 1.065 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.427 ' CD2' ' HG ' ' A' ' 97' ' ' LEU . 45.2 tp -85.79 -98.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.614 0.832 . . . . 0.0 109.264 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.61 ' NE2' ' CG ' ' A' ' 32' ' ' TYR . 1.6 mp0 -47.61 -20.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.442 1.089 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 26' ' ' LEU . . . 71.93 4.57 5.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.208 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 114.07 3.56 22.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 179.886 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -86.11 -161.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 0.74 . . . . 0.0 110.411 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.539 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -130.23 115.32 16.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.668 ' CD2' ' N ' ' A' ' 99' ' ' ASP . 4.9 m-85 -123.41 163.9 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.567 ' HD2' ' HA ' ' A' ' 52' ' ' PHE . 3.1 t70 -90.4 118.62 30.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.487 HG23 ' CD2' ' A' ' 97' ' ' LEU . 90.0 t -80.61 133.87 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.552 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 176.17 154.01 11.16 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.543 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 1.5 pt20 -92.44 100.03 12.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.796 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 94' ' ' GLN . 3.3 t -105.73 153.59 21.65 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.482 1.114 . . . . 0.0 108.293 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 178.31 170.06 0.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.0 p-90 -77.49 114.66 16.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.5 ' CG1' HD21 ' A' ' 77' ' ' LEU . 8.9 p -95.31 -50.06 11.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.361 179.903 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.497 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 1.6 t0 -81.64 -158.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.93 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -83.73 84.62 7.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.386 1.054 . . . . 0.0 110.431 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.13 18.8 75.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.497 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 19.2 t -104.72 113.5 41.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.574 0.808 . . . . 0.0 109.218 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.27 107.11 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.883 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.537 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . . . -117.9 145.12 44.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.5 m -107.95 155.71 20.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 108.285 179.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.55 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.9 OUTLIER -79.0 163.55 59.59 Favored Pre-proline 0 N--CA 1.451 -0.407 0 O-C-N 124.396 1.06 . . . . 0.0 109.353 179.86 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.581 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.07 -16.93 19.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.66 16.86 24.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.261 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.584 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -87.76 11.39 15.51 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 1.6 m-85 -104.05 91.09 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.409 ' OG ' HD21 ' A' ' 67' ' ' LEU . 11.5 t -144.16 80.3 1.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.504 1.127 . . . . 0.0 109.938 -179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.03 115.85 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.957 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.485 ' CG1' ' CG2' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -136.28 162.16 36.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.596 1.185 . . . . 0.0 109.363 179.858 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.539 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -132.42 151.91 51.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 -179.885 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.476 ' HB2' ' CB ' ' A' ' 63' ' ' ALA . . . -107.81 156.2 19.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.608 1.192 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -68.31 157.75 34.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.31 -29.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 109.297 179.93 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.7 t30 -88.77 36.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.78 37.86 1.44 Allowed Glycine 0 CA--C 1.532 1.141 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.9 OUTLIER -99.81 99.78 10.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.618 0.834 . . . . 0.0 109.956 179.971 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 57' ' ' ALA . . . -105.62 77.45 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.19 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -89.71 72.15 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.104 179.914 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' VAL . 2.8 t -109.96 157.38 19.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 -179.954 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.7 p -117.61 145.24 44.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.349 1.03 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.409 HD21 ' OG ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -148.61 175.36 11.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.616 1.198 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.4 m -105.18 129.97 53.45 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.561 1.163 . . . . 0.0 110.418 179.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.499 ' CG2' HG23 ' A' ' 19' ' ' VAL . 19.1 t -87.67 92.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.912 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.444 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 1.3 mmt180 -86.92 74.16 9.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.458 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 1.7 ttm180 -40.02 -39.15 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.627 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 14.9 t -104.16 133.36 49.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.618 1.199 . . . . 0.0 109.944 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 72' ' ' SER . 0.4 OUTLIER 160.29 127.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 49' ' ' PRO . 37.1 tt0 -82.02 106.89 14.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.676 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -93.5 -142.11 11.59 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 11.1 m-85 -129.67 151.78 49.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 0.776 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.537 ' HA ' ' CB ' ' A' ' 46' ' ' ALA . 1.2 mt -90.5 177.47 6.36 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.411 1.07 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -64.08 -27.94 69.44 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.613 1.196 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.64 -60.82 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.5 -27.13 0.2 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.72 157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.436 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 3.9 mtp-105 -98.77 77.52 2.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.676 ' O ' ' N ' ' A' ' 75' ' ' GLY . 1.8 t90 -112.66 -83.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.657 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 55.11 130.68 0.01 OUTLIER Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 84' ' ' GLY . 1.6 m 15.83 -82.79 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.603 0.825 . . . . 0.0 110.319 -179.942 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.657 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.4 OUTLIER 88.55 -40.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 109.204 179.927 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.486 ' N ' HG12 ' A' ' 86' ' ' VAL . 10.5 t0 -159.39 89.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.243 -179.944 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.458 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -69.13 62.04 0.12 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.386 1.054 . . . . 0.0 108.342 179.92 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 87' ' ' ASP . 14.7 t -104.26 -11.89 16.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 0.0 110.426 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.0 m -143.29 -44.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.374 1.046 . . . . 0.0 110.442 179.92 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.4 138.52 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.897 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.81 108.96 20.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.2 m -83.33 123.75 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.399 1.062 . . . . 0.0 108.343 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.51 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 14.3 mt-30 -90.81 111.34 22.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.148 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 3.6 t -87.14 111.58 21.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.23 170.81 37.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.4 1.063 . . . . 0.0 111.071 -179.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.61 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -105.87 117.5 34.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 0.729 . . . . 0.0 109.37 179.879 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.419 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 3.7 p -104.61 147.93 27.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.668 ' N ' ' CD2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -44.56 163.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 -179.942 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.9 3.41 22.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.396 1.06 . . . . 0.0 109.231 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.1 -19.19 21.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.615 1.197 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.86 52.22 2.48 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.515 1.134 . . . . 0.0 111.113 -179.871 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 6.8 p30 -149.87 164.52 35.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.48 104.36 2.0 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.475 1.109 . . . . 0.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.15 50.66 2.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.449 1.763 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -90.6 126.04 35.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.403 ' C ' ' HB3' ' A' ' 94' ' ' GLN . . . 158.58 145.83 4.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 110' ' ' ILE . 3.6 p -105.58 129.24 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.35 0.676 . . . . 0.0 109.35 179.902 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.45 81.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.611 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.5 OUTLIER -104.97 141.17 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.9 p . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' A' ' 24' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.512 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 42.9 p -50.78 -175.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.13 122.48 8.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.366 -179.97 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.8 143.58 49.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.501 ' CG1' ' HB ' ' A' ' 19' ' ' VAL . 4.7 t -83.83 119.35 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.705 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -61.82 -67.84 0.97 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 110.484 179.899 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.705 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.0 52.81 3.16 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.509 1.794 . . . . 0.0 111.054 179.911 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 8.6 p -87.92 -2.23 58.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.935 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 12' ' ' GLY . 11.0 t -85.19 124.52 31.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.99 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 33.07 47.16 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.581 1.176 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.488 ' CD2' HG13 ' A' ' 110' ' ' ILE . 1.0 OUTLIER -59.85 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.43 0.724 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -136.46 153.14 51.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.007 -179.967 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 0.6 OUTLIER -63.56 82.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.975 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.521 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 121.71 32.25 1.04 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 179.916 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -95.38 130.44 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 110.391 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -73.39 115.84 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.587 HG21 ' CG2' ' A' ' 69' ' ' VAL . 20.7 m -119.85 160.32 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.612 1.195 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -109.43 118.19 36.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.235 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -99.92 86.46 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -120.94 132.72 55.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.512 ' HA3' ' O ' ' A' ' 4' ' ' THR . . . 177.56 -169.28 41.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 61' ' ' GLY . . . -145.79 150.05 35.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.348 -179.932 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.35 14.04 7.22 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.533 ' CD1' ' OE1' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -105.25 -141.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 0.712 . . . . 0.0 109.375 179.986 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.634 ' NE2' ' CZ ' ' A' ' 32' ' ' TYR . 1.6 mm100 -53.78 92.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.863 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.503 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . -59.12 79.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.428 1.08 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 82.51 3.28 90.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.516 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.77 -175.18 4.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 0.747 . . . . 0.0 110.371 -179.998 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.527 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -141.67 114.45 8.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.378 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.634 ' CZ ' ' NE2' ' A' ' 27' ' ' GLN . 4.5 m-30 -116.63 179.14 4.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -96.44 113.88 25.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.175 . . . . 0.0 109.338 -179.93 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.414 HG11 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -80.69 137.89 20.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 -179.88 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.587 ' HA3' ' O ' ' A' ' 51' ' ' ASP . . . 178.44 157.97 20.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.332 1.02 . . . . 0.0 110.997 179.94 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.554 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -92.7 99.38 12.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 0.764 . . . . 0.0 110.214 -179.894 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.3 t -106.23 151.84 24.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.385 1.053 . . . . 0.0 108.404 179.888 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 178.38 155.14 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -57.87 110.86 0.99 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.527 1.142 . . . . 0.0 108.048 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.674 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -97.33 -42.53 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.424 1.078 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.489 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -90.4 -160.63 0.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -66.45 76.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 0.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.35 14.98 74.71 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.605 1.19 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 77.9 t -92.38 116.01 32.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.535 0.785 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.5 mt -61.99 102.42 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.572 ' CB ' ' CG1' ' A' ' 40' ' ' VAL . . . -114.53 136.54 52.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.2 m -100.85 156.54 17.31 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 108.306 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.504 ' N ' HD21 ' A' ' 48' ' ' ASN . 1.2 m-80 -84.74 165.68 36.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.08 -12.69 21.37 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.787 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.7 14.95 26.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.065 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.599 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -89.77 12.35 17.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -107.24 91.34 3.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.971 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 54' ' ' SER . 0.3 OUTLIER -151.68 86.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.991 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 53' ' ' SER . 6.4 t -37.26 149.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.509 HG21 ' CG2' ' A' ' 65' ' ' THR . 2.3 t -154.96 147.85 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.924 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.527 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -131.39 132.94 44.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.44 179.933 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.424 ' O ' ' HA2' ' A' ' 29' ' ' GLY . . . -103.27 141.84 35.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.655 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -60.08 158.99 10.13 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.566 1.166 . . . . 0.0 109.374 179.946 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.52 -33.19 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 109.383 179.926 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' ASP . 34.1 t30 -87.88 34.73 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.78 37.19 2.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.64 1.212 . . . . 0.0 111.081 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.411 ' CB ' ' OD1' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -93.1 108.27 19.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 0.793 . . . . 0.0 110.05 179.937 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.28 106.06 16.38 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 4.1 m -110.85 62.13 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.051 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.509 ' CG2' HG21 ' A' ' 55' ' ' VAL . 35.2 m -110.08 150.14 29.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.432 ' N ' HG21 ' A' ' 65' ' ' THR . 60.1 p -126.94 147.67 50.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.42 HD22 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -159.38 179.45 8.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 109.291 -179.954 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.52 ' CG2' ' C ' ' A' ' 16' ' ' GLY . 85.4 m -105.27 128.79 53.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.473 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.587 ' CG2' HG21 ' A' ' 19' ' ' VAL . 19.4 t -86.73 89.38 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.851 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.521 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -86.96 66.61 9.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.353 179.957 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.419 ' HD2' ' CA ' ' A' ' 89' ' ' THR . 21.1 ttp180 -39.18 -37.27 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.477 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 4.7 p -80.88 124.53 29.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 110.047 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.509 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 167.52 171.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 179.978 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.496 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 8.6 tt0 -81.04 122.41 27.28 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.479 1.112 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.73 150.86 40.31 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.416 1.073 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 2.4 t80 -136.02 113.53 10.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.743 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.411 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 3.2 mt -55.18 152.93 7.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -80.01 -29.57 39.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.363 1.04 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -48.11 79.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.34 -27.32 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.6 m -78.67 163.39 25.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 110.403 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -117.78 146.52 43.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.674 ' CD1' HG12 ' A' ' 40' ' ' VAL . 66.1 t-105 -101.82 -86.96 0.41 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.494 1.121 . . . . 0.0 108.001 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.597 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 135.41 -113.81 1.15 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.597 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 4.3 m 89.31 -63.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.609 0.829 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.502 ' CG2' ' C ' ' A' ' 85' ' ' THR . 2.7 t 84.82 -14.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -141.54 96.92 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 14.7 t -82.1 54.18 2.44 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.467 1.104 . . . . 0.0 108.33 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.419 ' CA ' ' HD2' ' A' ' 71' ' ' ARG . 7.0 t -96.34 -13.26 23.41 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.912 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.433 ' CG2' ' N ' ' A' ' 91' ' ' ALA . 9.8 t -88.36 -54.32 4.25 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.395 1.06 . . . . 0.0 110.506 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.433 ' N ' ' CG2' ' A' ' 90' ' ' THR . . . -91.79 136.07 33.43 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 179.862 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.43 116.58 9.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -88.28 126.25 35.08 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.435 1.084 . . . . 0.0 108.264 -179.965 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 29.9 mt-30 -105.98 120.75 42.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.381 1.051 . . . . 0.0 110.235 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.554 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 1.7 t -89.43 111.43 22.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -157.19 172.93 34.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -106.37 122.26 45.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.4 m -87.91 159.3 18.41 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.561 ' CG ' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.78 166.51 20.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.583 1.177 . . . . 0.0 109.377 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.99 8.29 15.73 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -99.74 -63.61 1.11 Allowed 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.1 40.89 0.07 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.563 1.164 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.431 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 0.4 OUTLIER -151.69 132.5 14.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 0.724 . . . . 0.0 109.388 179.862 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 146.33 73.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.902 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 0.03 9.42 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.544 1.813 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.23 138.44 55.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.9 143.13 5.68 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.418 1.074 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.423 HG11 HD11 ' A' ' 110' ' ' ILE . 2.8 p -68.76 128.97 33.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.574 0.808 . . . . 0.0 109.191 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.6 98.87 0.92 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.935 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.603 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -84.58 129.9 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.603 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.9 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.371 1.044 . . . . 0.0 110.091 179.952 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.803 0 N-CA-C 110.945 -0.444 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.573 ' O ' ' CG2' ' A' ' 6' ' ' THR . 19.2 p 40.11 -154.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.563 ' HA ' ' CA ' ' A' ' 23' ' ' GLY . . . -45.74 132.69 8.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.578 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 50.4 p -139.47 166.57 24.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 110.351 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.571 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.5 t -120.08 121.55 66.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.232 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.711 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -32.74 -67.66 0.18 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.473 179.907 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.711 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.6 Cg_endo -74.87 -162.0 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 179.913 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -139.45 -43.19 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.923 -179.974 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 111' ' ' SER . 58.3 m -64.43 73.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 10' ' ' SER . . . -49.65 -32.1 16.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -76.45 69.26 2.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.665 ' O ' ' C ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -132.41 78.84 1.83 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.501 1.126 . . . . 0.0 109.871 -179.932 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.665 ' C ' ' O ' ' A' ' 14' ' ' SER . 10.4 p-10 15.88 63.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.49 ' O ' ' CG2' ' A' ' 68' ' ' THR . . . 52.59 69.47 1.18 Allowed Glycine 0 CA--C 1.532 1.153 0 O-C-N 124.582 1.176 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.471 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.3 OUTLIER -71.69 136.77 47.39 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.668 0.864 . . . . 0.0 110.324 -179.928 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.461 HG21 ' CG2' ' A' ' 68' ' ' THR . 1.8 t -104.01 119.61 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.51 ' CG1' ' HG3' ' A' ' 9' ' ' PRO . 5.1 m -144.64 -166.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.617 1.198 . . . . 0.0 109.307 179.914 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.64 141.64 35.69 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' A' ' 6' ' ' THR . 10.5 t -113.18 85.31 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -89.4 129.9 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.563 ' CA ' ' HA ' ' A' ' 5' ' ' ALA . . . -121.29 122.08 5.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.68 101.44 12.62 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.594 0.82 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.536 ' O ' ' O ' ' A' ' 26' ' ' LEU . . . 96.57 38.16 4.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.414 1.071 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.536 ' O ' ' O ' ' A' ' 25' ' ' GLY . 0.4 OUTLIER -56.88 -140.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.752 . . . . 0.0 109.215 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.61 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 8.4 tp-100 -82.38 40.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 74.93 -9.7 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 109.241 179.939 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.56 ' HA2' ' CB ' ' A' ' 57' ' ' ALA . . . 120.47 8.16 8.58 Favored Glycine 0 CA--C 1.527 0.804 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 27' ' ' GLN . 4.3 m -60.35 -152.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.373 0.69 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.602 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -137.57 136.91 38.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.909 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.61 ' CE2' ' HG2' ' A' ' 27' ' ' GLN . 5.6 m-30 -150.68 -178.52 6.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.45 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 24.6 t70 -102.1 111.25 23.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.602 1.189 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.529 ' CG1' ' CD1' ' A' ' 67' ' ' LEU . 1.1 t -76.12 143.08 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 0.0 109.351 179.917 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.617 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 168.92 161.21 18.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.473 ' NE2' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -95.06 103.43 15.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 0.711 . . . . 0.0 110.271 179.905 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 3.6 t -107.16 154.42 21.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.618 1.199 . . . . 0.0 108.358 179.844 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 176.19 159.65 0.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.497 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 21.4 p-90 -59.07 98.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.626 HG11 ' CD1' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -82.75 -47.61 18.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.606 ' CG ' ' CE3' ' A' ' 83' ' ' TRP . 7.7 t0 -91.02 -150.21 0.23 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.147 . . . . 0.0 109.357 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -77.34 88.84 3.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 179.944 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.59 24.27 63.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.488 ' CG1' HD11 ' A' ' 77' ' ' LEU . 47.6 t -103.75 100.99 11.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.523 0.779 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.79 87.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.491 ' CB ' ' HB ' ' A' ' 40' ' ' VAL . . . -100.13 153.1 19.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.869 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 3.8 m -113.62 151.36 31.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 108.326 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.529 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -75.86 170.12 17.4 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.59 1.181 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.546 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.91 -11.28 21.65 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.521 1.801 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.23 14.22 25.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.617 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -89.22 8.31 30.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -107.45 94.86 5.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.641 1.213 . . . . 0.0 111.08 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.406 ' CB ' ' CD1' ' A' ' 67' ' ' LEU . 4.4 t -150.9 85.76 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.896 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -48.88 142.43 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.632 1.207 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.442 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -164.69 173.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.611 1.194 . . . . 0.0 109.27 179.958 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.566 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -145.07 158.28 43.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 179.988 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.56 ' CB ' ' HA2' ' A' ' 29' ' ' GLY . . . -104.93 149.59 25.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.376 1.048 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.9 OUTLIER -68.24 159.26 31.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.61 -37.39 0.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.378 -179.956 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -87.34 38.39 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.334 1.021 . . . . 0.0 109.228 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.38 41.0 2.87 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.492 1.12 . . . . 0.0 110.867 179.872 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 53.5 m -103.96 98.3 8.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -104.33 96.63 6.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 12.2 p -106.11 77.78 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.442 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 5.7 t -108.38 130.53 55.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.284 -179.924 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.0 p -91.68 131.81 36.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.064 . . . . 0.0 110.079 179.877 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.529 ' CD1' ' CG1' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -149.41 179.79 7.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 -179.957 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 16' ' ' GLY . 22.8 m -105.91 132.15 52.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.421 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 69' ' ' VAL . 7.7 p -89.95 85.44 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -92.83 118.34 31.0 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.364 1.04 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.437 ' CZ ' HG23 ' A' ' 89' ' ' THR . 42.1 ttp180 -90.04 -33.93 16.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.582 1.176 . . . . 0.0 110.386 179.956 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.559 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 83.3 p -96.08 114.98 26.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.609 1.193 . . . . 0.0 109.96 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.503 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -177.86 165.96 2.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.545 1.153 . . . . 0.0 110.885 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.427 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 0.8 OUTLIER -81.11 110.27 16.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.605 1.191 . . . . 0.0 110.227 -179.951 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.22 161.82 45.53 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.602 1.189 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.411 ' C ' ' HB1' ' A' ' 46' ' ' ALA . 42.7 m-85 -130.37 133.28 46.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 111.041 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.488 HD11 ' CG1' ' A' ' 44' ' ' VAL . 1.1 mm? -71.27 138.71 49.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.391 1.057 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.69 -25.78 65.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 179.891 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -52.93 -53.7 45.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.629 1.205 . . . . 0.0 109.345 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.36 -26.43 0.35 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.2 m -84.24 166.53 17.44 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.577 0.81 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -110.02 141.48 42.77 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.583 1.177 . . . . 0.0 110.192 179.939 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.626 ' CD1' HG11 ' A' ' 40' ' ' VAL . 37.7 t-105 -103.37 -89.98 0.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.466 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 148.38 -77.64 0.24 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.434 1.084 . . . . 0.0 111.079 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.567 ' OG1' ' CD1' ' A' ' 83' ' ' TRP . 7.5 m 67.7 -55.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 0.0 110.369 179.901 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' A' ' 72' ' ' SER . 88.7 t 71.68 -104.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -59.07 91.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.401 179.93 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 52.6 t -75.57 59.85 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 108.277 -179.9 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.437 HG23 ' CZ ' ' A' ' 71' ' ' ARG . 54.8 p -102.81 -15.92 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 -179.931 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 91' ' ' ALA . 9.1 t -88.96 -55.06 3.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.432 179.909 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.42 135.5 33.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -72.43 118.71 15.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.344 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.474 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -90.64 121.98 33.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 0.0 108.267 179.927 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.467 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 3.3 pt20 -103.15 122.13 44.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.481 ' CG2' HG22 ' A' ' 110' ' ' ILE . 1.9 t -87.86 114.34 26.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.6 179.15 39.5 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.572 1.17 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.476 HD21 ' CD2' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -106.45 125.9 51.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 0.72 . . . . 0.0 109.34 179.919 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 99.1 p -85.12 154.23 22.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.598 1.186 . . . . 0.0 109.961 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.582 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -88.82 162.35 16.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.97 14.34 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.93 -84.84 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.422 ' C ' ' ND2' ' A' ' 103' ' ' ASN . . . 174.15 47.54 0.05 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.422 ' ND2' ' C ' ' A' ' 102' ' ' GLY . 0.3 OUTLIER -137.33 157.38 46.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.428 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -136.91 62.03 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.444 1.09 . . . . 0.0 111.062 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.5 Cg_endo -74.86 -37.89 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.448 ' HG2' ' CD1' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -85.53 147.53 26.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.227 -179.868 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.95 119.7 2.09 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 8.5 p -106.18 122.45 59.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.78 88.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.921 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.514 ' O ' ' CB ' ' A' ' 111' ' ' SER . 2.4 tp -92.1 160.24 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 109.953 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.476 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.2 p 45.43 -170.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.455 179.944 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.406 ' N ' ' HA2' ' A' ' 23' ' ' GLY . . . -65.26 111.01 2.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.098 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.416 ' C ' HG11 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -149.13 146.96 27.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 110.431 -179.958 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.446 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 2.0 t -74.43 135.74 26.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.479 1.112 . . . . 0.0 109.214 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.544 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -41.93 -59.37 2.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.402 179.967 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.544 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.0 Cg_endo -74.92 -160.34 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.534 1.808 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 111' ' ' SER . 0.6 OUTLIER -137.99 -45.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.442 ' HA ' ' HB3' ' A' ' 111' ' ' SER . 0.5 OUTLIER -71.72 59.81 0.34 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.447 1.092 . . . . 0.0 110.019 179.966 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -46.31 -29.06 3.52 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.62 1.2 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 111' ' ' SER . 2.2 pp -59.93 77.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.569 0.805 . . . . 0.0 109.346 179.915 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.573 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -150.33 130.26 13.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 110.106 -179.983 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -35.84 92.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 38.73 67.26 0.57 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.503 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.3 OUTLIER -70.78 123.33 21.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.741 . . . . 0.0 110.363 179.976 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -92.53 115.94 32.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.496 ' CG1' ' HG3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -142.32 -171.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.403 1.065 . . . . 0.0 109.309 179.943 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -115.3 132.54 56.58 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.647 1.217 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.416 HG11 ' C ' ' A' ' 6' ' ' THR . 61.5 t -106.66 104.84 17.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.936 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -87.43 131.11 34.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.224 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -118.81 75.44 0.3 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.25 130.22 35.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.403 0.707 . . . . 0.0 109.246 -179.916 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 55.5 35.72 62.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.588 1.18 . . . . 0.0 111.057 -179.951 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.504 ' CD1' ' N ' ' A' ' 27' ' ' GLN . 3.3 tm? -106.65 -96.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.627 ' CG ' ' CD1' ' A' ' 32' ' ' TYR . 1.3 tp-100 -47.89 -22.15 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.618 1.199 . . . . 0.0 110.393 179.951 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 74.53 -2.27 2.86 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.368 1.043 . . . . 0.0 109.41 -179.92 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 120.69 -2.91 12.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.418 1.074 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.402 ' HB ' ' HG3' ' A' ' 27' ' ' GLN . 1.7 m -67.44 -155.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 0.815 . . . . 0.0 110.436 -179.993 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.527 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -138.9 114.81 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.392 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.627 ' CD1' ' CG ' ' A' ' 27' ' ' GLN . 8.4 m-85 -131.11 152.5 50.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 1.2 t70 -96.66 128.49 43.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 53' ' ' SER . 2.2 p -76.58 141.73 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.653 1.221 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.95 109.79 0.26 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.42 1.075 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.595 HE21 ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -60.85 102.98 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -104.66 152.32 22.62 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.523 1.139 . . . . 0.0 108.271 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.503 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 177.62 157.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.382 1.051 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.541 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 34.6 p-90 -61.86 85.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.572 ' CG1' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -77.52 -48.15 24.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.489 1.118 . . . . 0.0 109.194 -179.91 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.512 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 6.0 t0 -74.36 -151.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.935 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.504 ' O ' ' CG2' ' A' ' 42' ' ' THR . 12.0 t -84.97 60.66 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 110.459 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.66 10.37 53.21 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.512 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 2.8 t -97.71 114.33 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -67.32 89.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.587 ' CB ' HD12 ' A' ' 77' ' ' LEU . . . -95.93 140.48 30.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 31.4 m -97.82 153.24 18.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.609 1.193 . . . . 0.0 108.299 179.938 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.595 ' CB ' HE21 ' A' ' 36' ' ' GLN . 1.9 m-80 -94.03 122.45 61.82 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.421 179.958 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.495 ' CD ' ' O ' ' A' ' 74' ' ' GLU . 18.1 Cg_endo -74.93 6.25 3.47 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.549 1.815 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.609 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . . . -105.72 4.14 29.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.213 179.99 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.546 ' HB2' ' CD ' ' A' ' 36' ' ' GLN . 14.1 t70 -127.07 15.34 7.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.455 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 2.9 m-85 -82.73 111.53 18.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 111.062 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.47 ' HB3' ' CG1' ' A' ' 34' ' ' VAL . 4.7 t -153.01 99.13 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.92 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.536 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 63.4 p -58.8 132.15 53.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 110.048 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 56' ' ' THR . 47.3 t -152.45 164.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.241 -179.904 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.527 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -130.72 162.8 28.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.44 ' O ' ' HA2' ' A' ' 29' ' ' GLY . . . -107.55 154.01 22.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.24 179.958 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -77.34 159.06 29.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.612 1.195 . . . . 0.0 109.327 -179.902 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.94 -27.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.934 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.464 ' N ' ' C ' ' A' ' 58' ' ' ASP . 1.4 t-20 -88.1 32.25 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.648 1.217 . . . . 0.0 109.359 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.05 44.23 5.78 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.463 1.102 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -110.53 101.64 10.3 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.535 0.785 . . . . 0.0 110.011 -179.991 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.444 ' HB3' ' CD1' ' A' ' 97' ' ' LEU . . . -105.52 93.9 4.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.8 p -94.9 87.71 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 110.047 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.454 HG23 ' CD2' ' A' ' 97' ' ' LEU . 14.4 t -105.85 119.3 38.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.38 1.05 . . . . 0.0 110.44 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.2 p -102.95 136.4 42.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.884 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' CD1' ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -168.25 179.94 4.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.416 1.072 . . . . 0.0 109.254 179.926 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.411 ' H ' ' CD1' ' A' ' 67' ' ' LEU . 12.5 t -102.04 139.39 37.73 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.601 1.188 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 69' ' ' VAL . 3.4 p -88.04 88.48 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.467 ' HB2' ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -88.79 101.04 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.24 -179.919 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 88' ' ' CYS . 5.7 ttm-85 -81.18 -24.17 37.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 62.0 p -95.26 106.08 18.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.609 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER 175.43 170.49 0.33 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.566 1.166 . . . . 0.0 111.077 -179.964 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.495 ' O ' ' CD ' ' A' ' 49' ' ' PRO . 3.4 tt0 -79.27 128.23 33.05 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.629 1.206 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.37 160.11 41.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -118.11 103.6 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 0.795 . . . . 0.0 110.893 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -83.9 175.95 9.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.405 1.066 . . . . 0.0 109.359 179.897 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -90.21 -33.49 16.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.398 1.061 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -97.34 -24.23 15.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 -179.974 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.547 ' O ' ' C ' ' A' ' 81' ' ' THR . . . -142.75 58.36 0.55 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.58 1.175 . . . . 0.0 111.047 179.881 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.547 ' C ' ' O ' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -25.49 -93.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 110.429 -179.904 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.514 ' N ' ' OG1' ' A' ' 81' ' ' THR . 3.9 ptm180 -53.2 84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.531 ' HB3' ' CD1' ' A' ' 77' ' ' LEU . 14.4 t-105 -96.46 -87.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 107.971 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 161.41 -114.14 0.6 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.582 1.176 . . . . 0.0 111.055 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.525 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 6.7 m 83.55 -57.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.453 0.737 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 85' ' ' THR . 96.1 t 70.86 -103.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.01 105.79 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.392 1.057 . . . . 0.0 109.385 179.939 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.512 ' O ' ' CD ' ' A' ' 71' ' ' ARG . 4.0 t -89.59 64.39 6.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 108.405 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.79 -8.3 19.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.855 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.5 m -89.3 -56.9 3.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.272 0.982 . . . . 0.0 110.376 -179.947 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.5 139.09 31.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.561 1.163 . . . . 0.0 109.37 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.83 114.73 9.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.931 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.503 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -84.72 125.09 32.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 108.26 179.982 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.511 ' O ' ' CG ' ' A' ' 94' ' ' GLN . 2.4 pt20 -104.93 119.17 38.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 3.4 t -89.05 129.59 39.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.75 173.48 45.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.395 1.059 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.473 ' HB2' ' NE2' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -103.27 124.78 49.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.434 0.726 . . . . 0.0 109.236 -179.952 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.457 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 27.7 p -105.12 162.85 13.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.491 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -95.27 161.27 14.17 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.554 1.159 . . . . 0.0 109.19 -179.939 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.87 16.56 7.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.96 -24.94 12.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 179.962 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.28 54.15 2.04 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.596 1.185 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.421 ' HB2' ' HD2' ' A' ' 99' ' ' ASP . 17.4 m120 -116.47 148.09 41.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.586 0.816 . . . . 0.0 109.284 -179.921 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.22 98.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.055 179.894 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.438 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 18.5 Cg_endo -74.99 140.1 25.1 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.792 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.12 114.86 27.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -137.32 150.29 20.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.572 1.17 . . . . 0.0 110.948 -179.891 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 1.6 p -104.71 131.58 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.391 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.6 97.74 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.379 1.05 . . . . 0.0 109.215 -179.911 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.456 ' CG1' ' HA3' ' A' ' 12' ' ' GLY . 6.6 tp -69.17 157.41 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.512 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.559 0 O-C-N 124.471 1.107 . . . . 0.0 110.062 179.905 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.407 ' C ' HG22 ' A' ' 4' ' ' THR . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.51 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.3 p 53.33 -159.11 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.464 ' CB ' HD21 ' A' ' 26' ' ' LEU . . . -69.84 125.57 27.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -150.46 146.73 26.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.35 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.531 ' CG2' HD13 ' A' ' 110' ' ' ILE . 0.9 OUTLIER -75.59 130.66 35.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.378 179.935 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.795 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -37.37 -73.09 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.362 -179.959 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.795 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.87 -98.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.412 1.743 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.428 ' O ' HG13 ' A' ' 110' ' ' ILE . 7.6 m -154.91 -26.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.89 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.479 ' CB ' HG13 ' A' ' 110' ' ' ILE . 1.2 m 49.01 -175.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.502 ' CA ' HG22 ' A' ' 110' ' ' ILE . . . 86.34 -43.49 3.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.427 1.079 . . . . 0.0 110.973 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -44.56 -32.63 1.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 0.783 . . . . 0.0 109.387 -179.969 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.4 t -132.03 122.78 26.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.656 1.222 . . . . 0.0 110.024 179.909 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.419 ' C ' ' HA ' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -65.31 63.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 160.09 32.45 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.563 1.165 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 m -89.44 110.17 21.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 0.721 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 t -90.0 119.11 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.217 -179.955 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.525 HG12 ' CG ' ' A' ' 9' ' ' PRO . 34.5 m -138.22 -177.99 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.919 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -103.41 130.77 50.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 65' ' ' THR . 2.5 t -107.38 98.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.232 -179.919 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.55 131.36 36.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.51 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -116.76 98.49 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.339 1.025 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.24 108.48 19.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.78 . . . . 0.0 109.238 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.39 34.39 45.53 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.51 1.131 . . . . 0.0 111.071 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.566 HD23 ' CZ ' ' A' ' 32' ' ' TYR . 4.6 tp -61.52 -120.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.467 ' O ' ' OG1' ' A' ' 30' ' ' THR . 1.3 tp60 -79.89 24.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.441 ' H ' ' C ' ' A' ' 26' ' ' LEU . . . 76.3 -11.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 179.874 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.544 ' HA2' ' CB ' ' A' ' 57' ' ' ALA . . . 129.62 -2.26 6.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 -179.91 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 27' ' ' GLN . 1.5 m -59.05 -156.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 0.709 . . . . 0.0 110.347 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.463 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -131.49 144.31 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 109.427 179.801 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.686 ' CD1' ' O ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -151.61 -173.02 4.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.939 -179.951 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.47 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 22.2 t0 -106.7 108.5 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.918 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' A' ' 53' ' ' SER . 1.0 OUTLIER -79.68 142.08 14.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.927 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.612 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 167.28 161.01 15.59 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -95.04 102.03 13.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 0.787 . . . . 0.0 110.259 -179.995 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.8 t -107.06 154.71 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 108.338 179.908 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.491 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 179.03 164.69 0.88 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.921 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 56.1 p-90 -72.55 115.08 11.39 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.914 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.637 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -99.9 -47.43 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.183 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.614 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.2 OUTLIER -87.49 -165.35 1.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.949 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.8 m -59.35 87.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.43 20.83 31.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.556 1.16 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.493 ' CG1' HD21 ' A' ' 77' ' ' LEU . 61.4 t -95.72 116.41 37.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.79 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.9 108.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -121.26 134.66 55.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.1 m -99.34 155.92 17.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 108.233 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 73' ' ' PHE . 1.5 m120 -83.75 167.61 27.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.4 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.572 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.03 -12.41 21.45 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.451 1.764 . . . . 0.0 111.059 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.13 13.72 27.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.604 1.19 . . . . 0.0 109.223 179.991 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.612 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -89.62 7.26 37.42 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.574 1.171 . . . . 0.0 109.366 179.869 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.7 m-85 -106.51 91.51 3.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.431 ' OG ' HD12 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -149.58 90.86 1.75 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.528 1.142 . . . . 0.0 109.97 -179.911 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.0 p -48.64 121.63 4.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.686 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 19.0 t -136.75 149.47 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.207 179.956 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.642 ' N ' HG11 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -130.35 157.95 41.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.367 -179.926 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.544 ' CB ' ' HA2' ' A' ' 29' ' ' GLY . . . -105.5 148.25 27.42 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.639 ' O ' ' N ' ' A' ' 61' ' ' GLY . 1.4 m-20 -64.28 161.37 16.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.89 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.78 -37.71 0.36 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.498 1.123 . . . . 0.0 109.37 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -88.08 37.39 0.81 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.417 1.073 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.28 43.01 3.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -108.98 102.66 11.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.897 -179.885 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.496 ' CB ' ' OH ' ' A' ' 32' ' ' TYR . . . -105.76 93.84 4.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.23 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.9 p -102.27 71.89 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 179.964 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.42 ' O ' ' HB ' ' A' ' 21' ' ' VAL . 85.7 m -109.14 136.27 48.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.2 p -98.47 135.71 39.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.079 -179.973 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.431 HD12 ' OG ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -140.31 170.01 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.982 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.41 HG21 ' O ' ' A' ' 68' ' ' THR . 9.7 t -102.67 123.84 47.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 110.414 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.468 HG23 ' CB ' ' A' ' 11' ' ' SER . 46.0 t -89.19 89.29 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 109.212 -179.901 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.685 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 2.9 mtt85 -98.28 74.69 2.22 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.573 1.17 . . . . 0.0 110.29 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.539 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -38.06 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.978 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.502 ' C ' ' CG ' ' A' ' 73' ' ' PHE . 3.2 m -89.42 136.2 33.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.073 179.908 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.685 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 162.87 178.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.06 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.613 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 30.4 tt0 -93.25 105.51 17.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.388 1.055 . . . . 0.0 110.282 -179.852 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.76 161.57 48.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.577 1.173 . . . . 0.0 111.081 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.613 ' CE2' ' O ' ' A' ' 74' ' ' GLU . 10.8 m-85 -142.19 131.81 23.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 0.717 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.493 HD21 ' CG1' ' A' ' 44' ' ' VAL . 21.2 mt -69.8 148.52 49.01 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -76.12 -24.27 54.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.67 -50.23 68.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.263 -179.863 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.76 -25.07 0.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.434 HG23 ' CD1' ' A' ' 77' ' ' LEU . 2.5 t -87.46 154.77 20.38 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.551 0.795 . . . . 0.0 110.463 179.889 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.57 148.16 26.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.397 1.061 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.637 ' CD1' HG12 ' A' ' 40' ' ' VAL . 41.4 t-105 -106.43 -85.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 108.002 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.486 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 127.3 -74.58 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.648 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 1.6 m 68.29 -59.21 0.45 Allowed 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.456 0.739 . . . . 0.0 110.472 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.648 ' CG2' ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 82.6 -24.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.389 1.056 . . . . 0.0 109.175 179.85 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.47 ' O ' ' CG2' ' A' ' 85' ' ' THR . 13.2 t0 -144.25 105.8 4.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.959 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 7.8 t -91.22 50.6 1.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 108.291 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.8 m -89.29 -16.09 31.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.447 179.977 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.4 m -87.03 -52.05 5.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.382 1.051 . . . . 0.0 110.538 179.841 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.431 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.44 144.04 26.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.51 111.38 13.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 179.934 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.491 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -84.83 123.48 30.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 108.319 179.959 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 6.0 mt-30 -99.83 120.84 40.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.492 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 5.3 t -89.26 109.32 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.921 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -161.71 178.72 37.47 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.643 1.215 . . . . 0.0 111.052 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -106.57 148.1 28.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.935 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.6 p -103.68 149.05 25.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.092 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.62 164.15 18.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.222 -179.819 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.08 23.29 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.1 -40.75 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 -179.933 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.471 ' C ' ' ND2' ' A' ' 103' ' ' ASN . . . 123.86 46.52 0.26 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.425 1.078 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.471 ' ND2' ' C ' ' A' ' 102' ' ' GLY . 0.2 OUTLIER -143.47 153.78 42.98 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.572 0.807 . . . . 0.0 109.284 179.915 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.476 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -139.75 59.76 0.58 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.431 1.082 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.6 Cg_endo -74.91 -22.64 14.8 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.437 1.756 . . . . 0.0 111.007 179.913 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.95 152.06 22.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.398 179.923 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 144.72 115.6 1.01 Allowed Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 8.2 p -82.48 132.99 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.397 0.704 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.26 92.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.581 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.9 OUTLIER -76.73 146.45 8.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.377 1.048 . . . . 0.0 109.379 179.945 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.2 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.087 -179.883 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.403 ' O ' ' OG1' ' A' ' 4' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 3' ' ' PRO . 1.9 p 57.93 -169.49 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 110.415 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.487 ' N ' ' HA2' ' A' ' 23' ' ' GLY . . . -55.83 104.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.45 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.453 HG22 ' CG2' ' A' ' 108' ' ' VAL . 1.1 p -140.17 148.79 42.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.178 . . . . 0.0 110.438 -179.904 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.582 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.6 t -80.57 126.57 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.767 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -30.95 -71.33 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 -179.96 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.767 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.0 -162.65 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 110.947 -179.907 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.436 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 78.7 p -132.64 -45.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.872 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.4 m -69.72 62.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.371 1.045 . . . . 0.0 110.065 179.937 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -58.16 -12.33 11.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.586 1.179 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.491 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 3.9 pp -69.0 59.07 0.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.508 0.77 . . . . 0.0 109.193 -179.876 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -131.26 123.11 27.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 109.933 -179.955 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 14' ' ' SER . 4.9 m-20 -33.12 93.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 45.54 69.29 0.81 Allowed Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.605 1.19 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.475 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -78.55 125.43 29.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 0.811 . . . . 0.0 110.429 179.947 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -91.05 117.11 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.479 ' CG2' HG11 ' A' ' 7' ' ' VAL . 7.6 m -139.87 -176.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.225 -179.935 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -117.32 130.49 56.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.398 179.97 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.9 t -100.35 102.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.387 1.054 . . . . 0.0 109.313 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.13 124.51 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.918 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.487 ' HA2' ' N ' ' A' ' 5' ' ' ALA . . . -110.68 67.71 0.22 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.606 1.191 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.57 131.67 41.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 70.97 18.27 76.17 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.495 1.122 . . . . 0.0 111.06 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 tp -74.43 -145.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.443 0.731 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.435 ' NE2' ' HG1' ' A' ' 30' ' ' THR . 2.9 mm100 -89.89 78.14 6.85 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.436 1.085 . . . . 0.0 110.175 -179.937 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.513 ' HB1' ' CA ' ' A' ' 61' ' ' GLY . . . -59.36 133.48 56.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.622 1.201 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.93 -26.84 8.93 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.936 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.447 ' O ' ' OG1' ' A' ' 56' ' ' THR . 0.1 OUTLIER -89.83 -179.19 5.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.429 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.616 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -153.83 146.47 24.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.382 1.051 . . . . 0.0 109.361 179.929 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 16.6 m-85 -149.51 178.48 8.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.502 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 14.7 t0 -105.66 118.53 36.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.491 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 1.5 t -81.2 146.58 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.586 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 177.86 162.39 27.76 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.469 ' CD ' ' OD1' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -94.21 88.89 5.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 0.731 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 5.3 t -105.74 152.79 22.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.391 1.057 . . . . 0.0 108.195 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.402 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -178.39 170.13 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.395 179.953 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.534 ' HA ' ' HA ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -86.72 115.22 24.03 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.653 ' CG2' ' CZ2' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -102.61 -49.77 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.505 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -85.03 -176.77 6.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.405 1.066 . . . . 0.0 109.267 -179.977 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.2 m -48.66 93.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.383 179.935 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 50.36 20.2 3.44 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.496 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 88.4 t -91.86 112.13 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.366 0.686 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 0.3 OUTLIER -77.44 103.72 7.54 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.521 1.138 . . . . 0.0 109.208 -179.931 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.618 ' HB1' ' CE3' ' A' ' 83' ' ' TRP . . . -115.07 142.65 46.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.3 m -107.81 147.57 30.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.611 1.194 . . . . 0.0 108.271 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.481 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -79.37 172.65 9.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.383 179.958 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.549 ' CD ' ' HB3' ' A' ' 73' ' ' PHE . 18.2 Cg_endo -74.93 -15.91 20.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.27 15.2 28.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.978 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.586 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.1 t70 -90.26 15.49 10.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 12.8 m-85 -109.68 102.29 11.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.567 1.167 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.9 t -148.68 79.29 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.027 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.447 ' N ' ' OD2' ' A' ' 33' ' ' ASP . 99.6 p -55.76 126.37 25.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.936 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.497 HG22 ' CB ' ' A' ' 65' ' ' THR . 9.7 p -154.43 172.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.07 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.53 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -139.22 168.5 19.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.375 -179.964 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.54 129.4 53.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.416 1.072 . . . . 0.0 109.266 -179.943 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -66.43 154.31 40.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -40.33 -29.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.252 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.439 ' N ' ' C ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -87.33 32.8 0.69 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.942 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 39.4 43.14 2.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 111.059 -179.917 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.465 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -115.76 105.76 13.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.538 0.787 . . . . 0.0 109.97 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.14 81.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.951 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.3 p -91.46 87.7 6.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.587 1.179 . . . . 0.0 110.06 179.914 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.497 ' CB ' HG22 ' A' ' 55' ' ' VAL . 1.9 t -108.15 125.38 51.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.4 p -88.7 134.13 34.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.4 1.063 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.86 168.41 26.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.573 1.17 . . . . 0.0 109.309 -179.938 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.8 m -106.6 140.88 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.451 ' CG2' HG22 ' A' ' 17' ' ' THR . 39.2 t -88.74 80.05 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -88.25 63.33 7.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 28.4 ttp180 -43.63 -29.43 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 110.305 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -96.42 128.22 43.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 110.064 179.97 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.549 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 162.21 172.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.568 1.167 . . . . 0.0 110.973 -179.964 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.505 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 15.1 tt0 -85.62 115.58 23.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.388 1.055 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.632 ' C ' ' HB3' ' A' ' 83' ' ' TRP . . . -90.16 177.7 42.94 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.631 1.207 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.482 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 6.0 m-85 -146.92 149.49 33.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.59 0.817 . . . . 0.0 111.099 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.51 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 12.6 mt -90.41 157.31 17.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -90.75 -23.92 20.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.072 -179.968 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -63.53 -49.72 72.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.9 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.81 -28.0 0.22 Allowed Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.441 1.088 . . . . 0.0 111.046 -179.952 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.476 ' HB ' ' CD1' ' A' ' 77' ' ' LEU . 57.5 m -75.52 172.3 12.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.61 0.829 . . . . 0.0 110.475 179.95 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.12 157.51 17.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.653 ' CZ2' ' CG2' ' A' ' 40' ' ' VAL . 2.8 t90 -103.85 -89.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 108.084 179.909 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.686 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 96.57 -112.33 4.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.046 179.97 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.686 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 3.8 m 77.53 -60.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.469 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.495 ' CG2' ' C ' ' A' ' 85' ' ' THR . 2.8 t 85.02 -13.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 85' ' ' THR . 44.9 t0 -142.69 97.4 3.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.413 1.071 . . . . 0.0 109.423 179.901 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 24.2 t -87.77 54.2 3.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 108.266 -179.935 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.405 HG21 ' HD2' ' A' ' 87' ' ' ASP . 10.6 t -98.09 -10.84 23.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 1.185 . . . . 0.0 110.469 179.926 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 m -88.77 -54.35 4.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 110.396 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 40' ' ' VAL . . . -91.15 138.82 31.3 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -70.78 114.06 8.48 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.346 1.029 . . . . 0.0 109.225 -179.852 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.402 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -89.47 127.61 35.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.409 1.068 . . . . 0.0 108.25 -179.958 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.467 ' O ' ' CG ' ' A' ' 94' ' ' GLN . 0.7 OUTLIER -105.82 122.19 45.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.948 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 21.4 t -90.12 119.9 38.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.77 -179.74 42.95 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.544 ' CD2' ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -104.7 140.48 37.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 0.763 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.0 p -106.78 156.11 19.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.972 -179.958 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.59 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -68.86 161.93 27.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.408 179.973 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.73 -0.53 57.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.91 -37.03 22.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.72 43.84 0.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -148.88 145.31 27.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.404 0.708 . . . . 0.0 109.211 -179.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.42 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -138.98 63.38 0.55 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.514 1.134 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.3 Cg_endo -75.16 -24.42 12.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.658 1.873 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.13 141.23 28.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.226 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 152.74 148.39 4.86 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.42 1.075 . . . . 0.0 110.965 179.916 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.453 ' CG2' HG22 ' A' ' 6' ' ' THR . 0.9 OUTLIER -105.22 143.62 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.352 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.3 98.12 5.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 109.225 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.517 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -92.73 142.38 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.37 1.044 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.404 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.941 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.449 ' C ' ' CG2' ' A' ' 4' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.926 -0.451 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.449 ' CG2' ' C ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 51.13 176.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.521 1.138 . . . . 0.0 110.488 179.977 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.529 ' HA ' ' CA ' ' A' ' 23' ' ' GLY . . . -86.17 134.54 33.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.163 . . . . 0.0 109.349 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.466 ' N ' HG12 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -134.31 146.68 50.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.386 -179.969 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.509 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.8 t -71.25 122.27 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.733 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -34.4 -68.86 0.17 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.426 179.996 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.733 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.81 -152.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 111.052 179.86 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 11' ' ' SER . 93.9 p -98.58 -26.96 14.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.504 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 0.4 OUTLIER 54.39 163.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.084 -179.909 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.28 -39.61 3.05 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 14' ' ' SER . 1.3 pp -62.88 -20.63 65.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 0.727 . . . . 0.0 109.258 179.946 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -146.82 110.98 5.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.936 -179.928 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.404 ' OD2' ' O ' ' A' ' 15' ' ' ASP . 2.4 p30 -69.45 53.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.329 1.018 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 14' ' ' SER . . . -175.11 24.31 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.372 1.045 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.473 ' HB ' ' CG1' ' A' ' 69' ' ' VAL . 3.0 m -91.74 105.85 18.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 0.798 . . . . 0.0 110.434 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 2.4 p -97.43 118.62 44.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.396 179.944 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.5 ' CG2' HG12 ' A' ' 7' ' ' VAL . 14.4 m -144.73 -162.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.229 179.991 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.25 142.07 51.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 0.0 109.246 -179.949 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 6' ' ' THR . 8.3 t -112.13 86.82 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.934 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -87.76 138.99 30.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.6 1.188 . . . . 0.0 109.278 -179.936 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.529 ' CA ' ' HA ' ' A' ' 5' ' ' ALA . . . -147.47 143.37 11.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.155 . . . . 0.0 111.041 -179.953 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -123.89 103.2 8.2 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.676 0.868 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.79 0.99 7.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.597 1.185 . . . . 0.0 111.054 -179.916 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 28' ' ' ALA . 9.0 tp -77.67 -141.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 0.783 . . . . 0.0 109.279 -179.911 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.635 ' CG ' ' CD2' ' A' ' 32' ' ' TYR . 1.1 mp0 -48.2 90.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.193 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.52 83.99 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 70.22 19.38 75.76 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.415 1.072 . . . . 0.0 111.083 -179.858 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.506 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.76 -178.09 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 0.723 . . . . 0.0 110.474 -179.981 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.593 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -145.85 100.75 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.185 -179.94 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.635 ' CD2' ' CG ' ' A' ' 27' ' ' GLN . 17.8 m-30 -116.47 171.24 7.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.3 OUTLIER -90.65 119.51 30.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.183 -179.879 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.494 ' CG2' HG22 ' A' ' 65' ' ' THR . 0.5 OUTLIER -80.48 143.59 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.934 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.591 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 170.33 157.5 12.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.395 1.06 . . . . 0.0 110.941 179.931 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.567 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.46 91.31 7.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 0.788 . . . . 0.0 110.285 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 5.5 t -106.2 161.12 14.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 108.26 -179.997 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 37' ' ' CYS . . . 164.38 171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 179.988 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.563 ' CD1' ' HG ' ' A' ' 45' ' ' LEU . 5.8 m-90 -66.39 102.8 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.542 ' CG2' ' N ' ' A' ' 41' ' ' ASP . 2.2 m -88.83 -53.46 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.347 1.029 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.542 ' N ' ' CG2' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -88.61 -165.69 1.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 179.946 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.2 m -68.12 91.51 0.36 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.511 179.916 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.19 15.79 61.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.491 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 19.0 t -97.45 107.92 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.536 0.786 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.563 ' HG ' ' CD1' ' A' ' 39' ' ' TRP . 0.3 OUTLIER -74.6 101.83 4.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.583 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . . . -119.2 167.26 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.863 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 m -130.74 144.54 51.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.308 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.633 ' OD1' ' CZ ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -66.3 169.63 6.93 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.911 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.548 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.01 -11.65 21.46 Favored 'Trans proline' 0 C--N 1.362 1.248 0 O-C-N 124.401 1.737 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.55 16.32 24.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.429 1.081 . . . . 0.0 109.24 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.591 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -89.06 8.19 31.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.634 1.209 . . . . 0.0 109.26 -179.946 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -108.81 90.52 3.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 111.03 -179.968 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.469 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -151.01 85.14 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.94 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 3.7 t -39.52 152.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.706 1.254 . . . . 0.0 110.025 -179.951 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.5 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 3.4 p -168.59 146.4 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.52 1.138 . . . . 0.0 109.256 -179.917 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.593 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -130.45 150.55 51.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.552 179.842 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -108.72 155.58 20.57 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.402 1.064 . . . . 0.0 109.303 -179.901 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.517 ' N ' ' OD2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -77.47 156.54 31.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.597 1.185 . . . . 0.0 109.286 179.915 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.75 -26.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.601 1.188 . . . . 0.0 109.322 179.914 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.455 ' N ' ' C ' ' A' ' 58' ' ' ASP . 26.7 t-20 -87.21 33.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 44.39 35.69 4.0 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.43 1.081 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.492 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -90.05 94.73 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 110.066 179.952 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.478 ' CB ' HD21 ' A' ' 26' ' ' LEU . . . -97.12 100.58 12.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 75.3 p -107.83 81.23 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 109.965 -179.933 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.5 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 9.7 t -104.73 118.66 37.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.61 141.17 44.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 tp -168.97 -175.25 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 12.4 t -107.49 136.39 47.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.578 ' CG1' ' O ' ' A' ' 69' ' ' VAL . 3.6 p -89.49 95.43 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.654 1.221 . . . . 0.0 109.26 -179.89 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.683 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 1.2 mtt-85 -95.5 67.1 2.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.1 . . . . 0.0 110.416 179.933 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.574 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 3.2 ttm180 -30.38 -38.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.421 1.076 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -96.35 134.12 39.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.086 179.958 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.709 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER 161.69 130.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 -179.973 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 83' ' ' TRP . 55.5 tt0 -87.28 105.6 17.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.576 1.173 . . . . 0.0 110.342 179.938 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.616 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -96.88 -145.79 19.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 8.2 m-85 -131.83 148.43 52.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.583 ' HA ' ' CB ' ' A' ' 46' ' ' ALA . 1.3 mt -92.34 174.86 7.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.237 179.988 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -64.79 -29.23 70.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.54 -43.26 90.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.228 -179.939 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.77 -5.08 4.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.627 1.204 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.496 ' CG2' HD11 ' A' ' 77' ' ' LEU . 1.3 m -65.69 163.41 16.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.459 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -103.59 73.55 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.196 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.616 ' O ' ' N ' ' A' ' 75' ' ' GLY . 5.6 t-105 -112.27 -81.78 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 107.968 179.94 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.728 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 55.7 87.08 0.02 OUTLIER Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.574 1.171 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.545 ' C ' ' CG2' ' A' ' 86' ' ' VAL . 1.0 OUTLIER 48.43 -76.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.401 0.707 . . . . 0.0 110.477 179.986 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.728 ' N ' ' O ' ' A' ' 84' ' ' GLY . 2.6 t 87.48 -40.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 89' ' ' THR . 4.9 t0 -156.56 81.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.378 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.464 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -68.3 60.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.438 1.087 . . . . 0.0 108.355 179.958 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 87' ' ' ASP . 13.9 t -88.01 -8.6 55.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.506 1.129 . . . . 0.0 110.508 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.2 m -150.24 -43.75 0.13 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.34 143.5 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.408 1.068 . . . . 0.0 109.329 179.934 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.14 111.65 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.385 1.053 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.12 128.18 37.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.362 1.039 . . . . 0.0 108.303 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 26.5 mt-30 -95.43 111.45 23.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.567 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 1.5 t -88.6 103.08 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.394 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.479 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -157.48 176.52 34.61 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.379 1.049 . . . . 0.0 111.002 -179.928 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -108.68 123.36 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.627 0.839 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -103.67 148.58 25.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.998 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.58 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -41.66 161.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 179.919 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.11 -11.36 58.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.73 -19.13 28.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.65 45.97 5.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.616 1.198 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 0.8 OUTLIER -138.17 144.07 40.55 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 0.738 . . . . 0.0 109.317 -179.936 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.19 112.4 3.1 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.579 1.174 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 59.03 5.13 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.434 1.755 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.77 145.69 25.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.068 . . . . 0.0 110.228 -179.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.479 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . 131.64 156.38 8.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.434 1.084 . . . . 0.0 111.056 -179.996 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.591 ' CG1' ' CD1' ' A' ' 110' ' ' ILE . 1.0 OUTLIER -102.31 143.26 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.375 0.691 . . . . 0.0 109.338 -179.974 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.39 95.96 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.591 ' CD1' ' CG1' ' A' ' 108' ' ' VAL . 1.1 mp -78.88 159.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 109.246 -179.993 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.483 ' O ' ' O ' ' A' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 110.011 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 175.51 172.03 0.3 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.407 ' O ' ' OG1' ' A' ' 4' ' ' THR . 18.5 Cg_endo -74.91 -6.57 18.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.047 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 1.3 p 60.75 -148.05 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.462 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -75.2 118.52 18.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.1 p -145.22 145.57 31.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.479 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.498 ' CG1' HG23 ' A' ' 19' ' ' VAL . 2.1 t -75.12 142.62 14.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.529 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -49.02 -58.18 9.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.37 1.044 . . . . 0.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.529 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 17.8 Cg_endo -75.0 -160.85 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.76 -46.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.386 1.054 . . . . 0.0 109.937 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.7 p -70.19 59.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.606 1.191 . . . . 0.0 110.049 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -50.48 -19.02 2.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.579 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -69.93 60.32 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.497 0.763 . . . . 0.0 109.24 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -130.03 126.57 38.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.087 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 14' ' ' SER . 1.4 m-20 -36.01 94.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 41.84 67.62 0.81 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.462 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -76.24 127.62 33.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.402 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.446 HG21 ' CG2' ' A' ' 68' ' ' THR . 1.3 t -98.25 123.19 50.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.498 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.2 OUTLIER -150.9 -172.49 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -111.59 137.72 49.07 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 6' ' ' THR . 76.0 t -113.66 108.71 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.412 1.07 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.05 131.49 35.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -114.59 92.95 0.62 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.521 1.138 . . . . 0.0 111.083 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.81 124.65 35.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.71 21.24 79.57 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.473 ' CD2' HD22 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -85.25 -142.64 0.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.357 0.681 . . . . 0.0 109.238 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.685 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 1.1 mm100 -54.69 89.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.24 84.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 79.69 0.9 85.97 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.523 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -89.17 -175.06 4.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 0.783 . . . . 0.0 110.34 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.614 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -146.51 149.26 33.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.685 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.4 m-30 -150.44 -167.33 2.79 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.441 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 72.8 m-20 -109.61 109.57 20.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.334 1.021 . . . . 0.0 109.382 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.431 HG22 ' CG2' ' A' ' 65' ' ' THR . 1.2 t -78.37 140.74 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.601 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 173.01 160.68 22.04 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.95 101.08 13.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 0.0 110.376 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.624 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 4.8 t -106.97 150.3 26.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 108.353 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.512 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 177.37 168.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.362 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 45' ' ' LEU . 1.3 m95 -68.26 111.01 4.31 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.601 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -94.71 -46.1 13.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.605 ' OD2' ' CZ3' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -87.15 -162.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 m -64.86 76.27 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.344 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 72.36 14.25 77.06 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.454 1.096 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.461 HG12 ' CG ' ' A' ' 77' ' ' LEU . 27.0 t -90.05 116.34 31.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.569 0.806 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 3.6 tp -64.12 105.47 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.23 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.512 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -123.03 136.47 54.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.363 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.61 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 26.6 m -97.88 156.58 16.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.599 1.187 . . . . 0.0 108.229 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.511 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.9 OUTLIER -79.84 162.64 61.75 Favored Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 124.419 1.074 . . . . 0.0 109.359 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.519 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 17.9 Cg_endo -75.11 -12.97 21.31 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.403 1.738 . . . . 0.0 110.951 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.26 14.24 25.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.601 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.47 10.86 16.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.519 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -106.61 91.85 3.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 111.003 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 54' ' ' SER . 28.8 t -150.52 91.47 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 110.08 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 53' ' ' SER . 25.4 p -33.17 148.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.055 . . . . 0.0 110.072 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.497 HG21 ' CG2' ' A' ' 65' ' ' THR . 0.3 OUTLIER -147.48 155.36 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.506 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -151.57 129.32 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 110.403 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -101.66 139.84 36.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.578 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -62.3 159.5 15.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.402 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.22 -29.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.437 ' N ' ' C ' ' A' ' 58' ' ' ASP . 13.0 t-20 -88.75 34.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.19 45.46 5.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.4 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -109.15 97.74 7.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.593 0.819 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.497 ' CB ' ' HB3' ' A' ' 57' ' ' ALA . . . -106.14 84.11 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.7 m -93.25 80.58 4.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.898 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.497 ' CG2' HG21 ' A' ' 55' ' ' VAL . 15.1 t -107.05 138.65 42.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.585 1.178 . . . . 0.0 110.459 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.87 137.43 46.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.423 1.077 . . . . 0.0 110.135 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.81 177.81 11.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.446 ' CG2' HG21 ' A' ' 18' ' ' VAL . 95.4 m -106.68 135.73 47.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.156 . . . . 0.0 110.361 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.453 ' CG1' HG21 ' A' ' 17' ' ' THR . 12.3 p -87.57 87.72 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -87.76 78.19 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.474 ' HD3' ' CA ' ' A' ' 89' ' ' THR . 6.2 ttm180 -52.42 -33.24 42.99 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 2.5 p -93.41 134.08 36.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.59 1.181 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.517 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 162.26 177.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.468 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 27.0 tt0 -89.26 111.61 22.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.9 160.74 35.66 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.554 1.159 . . . . 0.0 111.044 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.498 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -138.23 128.27 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.0 111.02 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -62.95 145.79 54.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.636 1.21 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 45' ' ' LEU . 3.4 p90 -76.04 -18.12 59.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.27 -48.17 82.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.386 1.054 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.6 -24.94 0.31 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.059 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 89.0 m -88.67 158.57 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 110.329 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -108.04 145.69 33.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.16 . . . . 0.0 110.426 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.605 ' CZ3' ' OD2' ' A' ' 41' ' ' ASP . 73.7 t-105 -105.56 -91.22 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 108.033 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.468 ' HA2' ' CG ' ' A' ' 74' ' ' GLU . . . 138.99 -68.82 0.49 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.623 1.202 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.518 ' O ' ' CB ' ' A' ' 86' ' ' VAL . 1.2 m 67.04 -61.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.359 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.518 ' CB ' ' O ' ' A' ' 85' ' ' THR . 2.9 t 86.83 -35.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.88 107.17 5.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.245 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 15.1 t -89.74 57.88 4.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 108.278 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.474 ' CA ' ' HD3' ' A' ' 71' ' ' ARG . 8.8 t -100.81 -13.34 18.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.7 m -88.48 -57.55 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -89.9 124.59 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.31 120.02 7.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.595 1.185 . . . . 0.0 109.292 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.99 126.52 35.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 108.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 25.3 mt-30 -97.32 116.33 29.33 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.467 HG21 ' CG2' ' A' ' 110' ' ' ILE . 3.4 t -87.82 110.22 20.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 109.234 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.52 -177.45 37.17 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.566 1.166 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.497 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -106.57 155.68 19.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.582 0.813 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -104.33 148.32 26.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.634 1.209 . . . . 0.0 109.885 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.748 ' HD2' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -94.54 159.23 15.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 1.178 . . . . 0.0 109.214 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.65 14.82 10.73 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.546 1.154 . . . . 0.0 109.238 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.34 -30.46 12.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.18 40.93 1.59 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.407 1.067 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.8 160.3 39.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 109.262 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -129.52 66.72 0.57 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.748 ' HD3' ' HD2' ' A' ' 99' ' ' ASP . 18.1 Cg_endo -75.06 -37.69 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.494 1.786 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.462 ' CB ' HD23 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -89.23 147.79 23.96 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 143.44 110.25 0.74 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.356 1.035 . . . . 0.0 111.047 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.1 p -100.56 118.74 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.598 0.822 . . . . 0.0 109.292 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.03 87.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.422 1.077 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.529 ' O ' ' CB ' ' A' ' 111' ' ' SER . 3.0 tp -86.29 153.44 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.544 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 157.69 -56.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 1.188 . . . . 0.0 109.925 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -151.62 124.95 8.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.191 . . . . 0.0 109.418 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.624 ' C6 ' ' CB ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.646 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -155.93 52.39 0.66 Allowed Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.456 1.097 . . . . 0.0 109.355 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.646 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.6 Cg_endo -75.03 -12.54 21.45 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.515 1.798 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 1.2 p 63.34 -146.63 0.34 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.499 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -77.54 109.92 11.9 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.474 1.109 . . . . 0.0 109.43 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -146.07 148.67 32.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.522 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -81.39 139.96 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.488 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -38.83 -56.17 2.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.381 1.051 . . . . 0.0 110.39 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.522 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.95 -159.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.448 1.762 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.14 -58.31 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.485 ' CB ' ' HA ' ' A' ' 112' ' ' PHE . 0.2 OUTLIER -132.22 168.84 17.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.936 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.564 ' HA2' ' CZ ' ' A' ' 112' ' ' PHE . . . 74.66 31.4 58.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.569 1.168 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.501 ' CD1' HG23 ' A' ' 110' ' ' ILE . 76.9 mt -88.83 165.66 14.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 0.774 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.8 t -127.78 153.04 47.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.09 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.28 83.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.342 1.027 . . . . 0.0 109.35 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 126.7 33.71 0.64 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.406 1.066 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.401 HG22 HD21 ' A' ' 13' ' ' LEU . 97.6 m -86.61 103.22 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.62 0.835 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.52 123.78 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.228 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.489 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -149.28 -177.76 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -103.49 134.75 46.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.364 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.6 t -114.66 103.02 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -87.93 134.26 33.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.13 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.446 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -120.14 66.38 0.42 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.442 1.088 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.85 118.22 17.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 72.84 41.76 48.2 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.483 HD13 ' N ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -104.93 -95.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.587 ' OE1' ' CD1' ' A' ' 32' ' ' TYR . 6.3 mm-40 -61.26 -13.48 19.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.401 1.063 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 68.61 8.48 6.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 118.58 -0.05 15.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.093 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.421 ' HB ' ' OE1' ' A' ' 27' ' ' GLN . 3.0 m -80.43 -157.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.482 0.754 . . . . 0.0 110.46 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.583 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -140.89 114.84 9.08 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.565 1.165 . . . . 0.0 109.29 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.592 ' CE1' ' HA ' ' A' ' 99' ' ' ASP . 1.1 m-30 -123.24 -175.12 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.6 m-20 -102.74 127.45 49.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 0.0 109.301 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.483 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -90.53 131.72 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.595 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . -179.37 149.99 9.09 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.642 1.214 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -93.64 109.56 21.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.623 0.837 . . . . 0.0 110.38 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.561 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 0.6 OUTLIER -108.08 151.73 25.48 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.501 1.126 . . . . 0.0 108.288 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -171.0 162.92 7.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.544 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 18.4 p90 -74.36 110.43 8.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.626 HG11 ' CD1' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -98.09 -48.18 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.607 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 2.3 t0 -73.47 -154.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t -78.51 54.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.068 . . . . 0.0 110.447 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.28 2.39 54.09 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.6 1.188 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 14.6 t -82.39 118.87 30.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.446 0.733 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 7.3 mt -68.64 100.16 1.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.472 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . . . -109.52 144.86 37.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.652 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 4.9 m -108.93 153.17 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.607 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -86.99 178.95 1.96 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.667 1.229 . . . . 0.0 109.369 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -75.0 -16.31 20.27 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.562 1.822 . . . . 0.0 111.097 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.44 12.51 31.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.603 1.189 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.714 ' HD2' ' H8 ' ' A' ' 130' ' ' NCZ . 1.9 t70 -88.42 -0.87 57.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.607 1.192 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 5.1 m-85 -107.85 91.03 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.459 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -147.91 81.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.962 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' SER . 52.4 p -37.13 129.78 0.89 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.539 1.149 . . . . 0.0 110.046 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.493 HG22 ' CG2' ' A' ' 65' ' ' THR . 3.2 t -143.25 151.91 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.6 1.188 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.583 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -132.35 146.38 51.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.407 1.067 . . . . 0.0 110.478 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 27' ' ' GLN . . . -99.12 137.6 37.41 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.654 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -58.69 159.35 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.359 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.79 -32.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.386 1.054 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 58' ' ' ASP . 38.6 t30 -88.56 35.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.37 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 39.64 43.45 2.26 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.621 1.201 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 19.3 m -116.29 103.86 10.91 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.583 0.814 . . . . 0.0 109.949 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.09 95.61 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.368 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 4.5 p -98.78 82.27 2.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.493 ' CG2' HG22 ' A' ' 55' ' ' VAL . 31.3 m -109.26 136.14 49.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.3 p -90.42 125.48 35.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.013 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.437 ' CD2' HG13 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -137.5 163.64 30.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 17' ' ' THR . 5.3 t -106.08 137.31 44.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.348 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 14' ' ' SER . 21.2 t -89.35 87.08 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.691 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -95.19 70.86 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -36.73 -32.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -88.63 136.77 32.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.395 1.059 . . . . 0.0 110.022 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.691 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER 168.09 -178.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.462 1.101 . . . . 0.0 110.923 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -97.61 110.04 22.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.33 1.019 . . . . 0.0 110.353 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.66 145.85 34.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.619 ' CE1' ' O ' ' A' ' 77' ' ' LEU . 2.1 t80 -133.48 123.83 25.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 0.802 . . . . 0.0 111.002 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.619 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 7.5 mt -66.6 154.65 39.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -83.57 -27.62 29.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -56.89 -44.81 82.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.36 -21.63 0.74 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.602 1.189 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 45.2 m -82.55 158.55 23.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 0.798 . . . . 0.0 110.441 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -111.01 142.14 43.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.626 ' CD1' HG11 ' A' ' 40' ' ' VAL . 44.4 t-105 -101.44 -84.57 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 108.021 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 124.32 -74.48 0.4 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.587 1.179 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.537 ' O ' ' CB ' ' A' ' 86' ' ' VAL . 1.1 m 67.35 -62.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 0.716 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.537 ' CB ' ' O ' ' A' ' 85' ' ' THR . 3.3 t 88.55 -32.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.379 1.049 . . . . 0.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.509 ' O ' ' CG2' ' A' ' 85' ' ' THR . 29.2 t0 -138.42 115.89 11.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 13.0 t -88.99 55.87 3.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 108.342 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.7 t -96.06 -16.06 21.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 110.414 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.2 m -89.0 -56.81 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.456 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.65 156.75 17.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.19 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -88.81 122.41 32.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.679 1.237 . . . . 0.0 109.222 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -86.91 120.78 28.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.567 1.167 . . . . 0.0 108.339 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.458 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 20.3 mt-30 -99.41 116.12 30.83 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 41.8 t -88.88 123.75 41.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.096 . . . . 0.0 109.237 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -172.43 173.46 45.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.44 HD11 ' CD1' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -106.05 126.68 52.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.779 . . . . 0.0 109.36 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.506 ' HB2' ' C7 ' ' A' ' 130' ' ' NCZ . 0.6 OUTLIER -105.03 170.66 7.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.093 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.592 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -64.43 161.23 17.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.21 -22.37 6.6 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.614 1.196 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.27 -27.21 26.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 99' ' ' ASP . . . 100.17 16.57 27.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -95.57 157.65 15.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.55 114.59 3.59 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.448 1.093 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.424 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.4 Cg_endo -74.92 52.85 3.13 Favored 'Trans proline' 0 C--N 1.358 1.032 0 O-C-N 124.501 1.79 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -90.53 102.11 14.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.09 144.13 4.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.39 1.056 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.1 p -106.09 129.9 58.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.531 0.783 . . . . 0.0 109.192 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.84 91.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.521 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -106.47 138.13 33.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.554 1.158 . . . . 0.0 109.387 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 3.9 p 157.82 -48.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.076 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.564 ' CZ ' ' HA2' ' A' ' 12' ' ' GLY . 0.6 OUTLIER -172.97 168.19 4.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.967 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.714 ' H8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.539 ' CB ' ' CG2' ' A' ' 6' ' ' THR . . . 62.88 149.33 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.221 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.459 ' C ' ' CG2' ' A' ' 4' ' ' THR . 18.2 Cg_endo -75.01 162.03 37.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.592 1.838 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.513 ' HB ' ' CD2' ' A' ' 26' ' ' LEU . 0.8 OUTLIER 62.48 -153.9 0.35 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.57 1.169 . . . . 0.0 110.432 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.473 ' HB2' ' CD2' ' A' ' 97' ' ' LEU . . . -73.13 125.67 28.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.391 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.539 ' CG2' ' CB ' ' A' ' 2' ' ' ALA . 1.2 p -139.19 148.7 43.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.371 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.595 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 84.7 t -86.04 126.06 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.724 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -30.4 -68.5 0.12 Allowed Pre-proline 0 C--N 1.323 -0.568 0 O-C-N 124.615 1.197 . . . . 0.0 110.432 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.724 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.98 -158.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 111.081 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.457 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 15.0 p -148.73 -75.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.8 t -108.59 149.12 29.33 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.477 1.111 . . . . 0.0 109.954 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.59 28.08 8.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.572 1.17 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.505 ' CD1' HG22 ' A' ' 110' ' ' ILE . 1.2 mt -86.08 164.55 17.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 109.213 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.586 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.7 OUTLIER -127.16 159.91 32.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.888 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.87 64.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.07 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 138.92 39.25 0.1 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.485 1.116 . . . . 0.0 111.115 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.504 ' HB ' ' CG1' ' A' ' 69' ' ' VAL . 1.1 m -92.01 116.47 28.95 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.549 0.793 . . . . 0.0 110.27 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.23 128.91 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.226 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.479 ' CG2' HG11 ' A' ' 7' ' ' VAL . 15.3 m -145.16 165.46 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -98.23 124.64 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.381 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 t -99.19 94.63 3.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.576 1.172 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.26 120.17 30.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.405 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.435 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -111.27 96.22 0.87 Allowed Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.428 1.08 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.01 103.34 15.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.394 0.702 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.24 14.59 25.74 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.531 1.144 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.513 ' CD2' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -84.18 -143.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.726 . . . . 0.0 109.293 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.641 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 35.0 mm-40 -49.49 90.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -57.97 83.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 75.71 6.13 80.72 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.479 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.11 -176.52 4.63 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.533 0.784 . . . . 0.0 110.35 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.521 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -137.23 112.79 9.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 2.7 m-30 -117.46 170.97 8.31 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.453 1.096 . . . . 0.0 111.079 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.79 123.17 32.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 1.074 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.485 HG13 ' CB ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -85.35 139.33 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.549 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 163.75 144.14 3.94 Favored Glycine 0 CA--C 1.528 0.856 0 O-C-N 124.421 1.076 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.738 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 4.8 pm0 -92.45 119.12 31.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.363 0.684 . . . . 0.0 110.328 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.54 ' HB3' ' C1 ' ' A' ' 130' ' ' NCZ . 1.4 t -109.78 154.21 23.27 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.353 1.033 . . . . 0.0 108.394 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.416 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -167.44 153.32 7.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.358 1.037 . . . . 0.0 109.218 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 45' ' ' LEU . 29.7 p-90 -69.76 106.72 3.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 107.96 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.634 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -90.1 -46.01 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.407 1.067 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.609 ' OD1' ' CH2' ' A' ' 83' ' ' TRP . 1.2 t0 -86.51 -166.37 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -61.97 79.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.423 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 67.65 24.51 74.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 26.0 t -100.47 106.25 18.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.361 0.683 . . . . 0.0 109.245 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 4.3 mt -57.43 95.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.402 ' HB3' HG11 ' A' ' 40' ' ' VAL . . . -102.42 132.24 48.57 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.608 1.193 . . . . 0.0 109.37 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.598 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 33.6 m -96.75 155.39 16.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 108.322 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.67 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -88.87 168.41 15.74 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.501 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.96 -8.66 20.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.582 1.833 . . . . 0.0 111.022 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.52 10.68 33.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.786 ' HD2' ' C8 ' ' A' ' 130' ' ' NCZ . 0.5 OUTLIER -89.75 5.01 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.231 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 4.2 m-85 -107.05 88.97 2.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.082 . . . . 0.0 111.038 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.485 ' CB ' HG13 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -150.68 85.73 1.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.919 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 53' ' ' SER . 40.0 t -35.96 149.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.419 ' CG1' HG22 ' A' ' 34' ' ' VAL . 10.6 p -158.02 155.62 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.224 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.521 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -138.97 141.92 38.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 0.0 110.393 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.482 ' HB3' ' CB ' ' A' ' 63' ' ' ALA . . . -107.39 144.29 34.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -59.8 160.07 8.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.77 -32.22 0.21 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -88.34 35.87 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.368 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.78 42.61 4.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.425 1.078 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -102.34 95.8 6.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.758 . . . . 0.0 110.057 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.482 ' CB ' ' HB3' ' A' ' 57' ' ' ALA . . . -106.4 80.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 p -93.97 77.82 4.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.888 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 m -109.56 139.18 44.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.444 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.5 p -97.73 135.01 40.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 110.075 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.64 171.21 15.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.364 1.04 . . . . 0.0 109.342 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.469 ' CG2' ' HA2' ' A' ' 16' ' ' GLY . 2.0 m -105.92 130.47 53.86 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.564 1.165 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.504 ' CG1' ' HB ' ' A' ' 17' ' ' THR . 7.3 p -86.0 92.07 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.694 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 3.4 mtt180 -87.69 72.24 9.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.067 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 20.7 ttp180 -38.54 -36.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.193 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.554 ' C ' ' CG ' ' A' ' 73' ' ' PHE . 4.0 m -98.75 148.93 23.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 110.032 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.694 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 161.18 -172.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.953 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 1.2 tt0 -100.79 97.34 7.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.241 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.14 162.17 43.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 82' ' ' ARG . 47.0 m-85 -142.57 124.02 14.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 0.796 . . . . 0.0 110.988 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 18.1 mt -53.96 159.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.237 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.493 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 2.1 p90 -73.24 -32.2 64.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.06 -51.55 65.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.87 -24.21 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.406 1.066 . . . . 0.0 110.965 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.0 m -74.56 149.11 40.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.591 ' HB2' ' CE2' ' A' ' 76' ' ' PHE . 5.4 ttm180 -90.53 142.61 27.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.634 ' CD1' HG12 ' A' ' 40' ' ' VAL . 76.3 t-105 -102.4 -89.22 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.119 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 74' ' ' GLU . . . 164.09 -67.59 0.22 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.486 HG21 ' CG2' ' A' ' 40' ' ' VAL . 2.0 m 78.7 -62.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 t 75.43 -77.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -128.88 110.17 11.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.18 . . . . 0.0 109.39 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 49.7 t -75.01 57.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 0.0 108.247 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.8 t -100.02 -25.4 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.384 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.0 m -88.81 -51.72 5.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.499 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -89.36 147.02 24.3 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.401 1.063 . . . . 0.0 109.227 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.01 122.79 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.354 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -91.09 119.34 31.15 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.498 1.123 . . . . 0.0 108.33 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.558 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 23.3 mt-30 -91.84 115.22 27.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.507 ' HA ' ' CB ' ' A' ' 36' ' ' GLN . 2.3 t -88.28 123.01 40.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -170.4 170.14 42.79 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.64 1.213 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.481 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -106.33 118.22 36.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.478 ' HB3' ' C7 ' ' A' ' 130' ' ' NCZ . 47.1 p -90.44 159.88 16.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.905 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.555 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -57.32 163.71 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.15 -16.82 62.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.36 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.26 -23.04 54.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.1 39.1 3.61 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.625 1.203 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.23 157.98 43.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.407 0.71 . . . . 0.0 109.394 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.51 122.26 0.94 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -5.54 16.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.612 1.849 . . . . 0.0 111.057 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 130.68 43.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.02 130.64 1.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.084 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 p -106.61 125.86 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 O-C-N 124.472 0.748 . . . . 0.0 109.382 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.92 91.16 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.592 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -109.8 141.98 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.39 1.056 . . . . 0.0 109.334 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.2 m 152.45 -43.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.941 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -164.58 174.71 10.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.637 1.21 . . . . 0.0 111.055 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.3 t30 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.183 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.786 ' C8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' C ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.478 ' CB ' ' HB1' ' A' ' 24' ' ' ALA . . . -133.5 62.24 58.46 Favored Pre-proline 0 C--N 1.323 -0.57 0 O-C-N 124.626 1.204 . . . . 0.0 109.318 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.484 ' O ' HG22 ' A' ' 6' ' ' THR . 18.2 Cg_endo -74.94 47.35 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.575 1.829 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 19.3 p 49.35 -125.96 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -81.93 119.35 23.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.608 1.193 . . . . 0.0 109.273 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -148.01 147.66 29.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.353 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.578 ' CG1' HG13 ' A' ' 110' ' ' ILE . 4.7 p -97.5 147.63 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.498 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -37.13 -56.19 1.56 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.176 . . . . 0.0 110.436 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.15 -177.92 3.83 Favored 'Trans proline' 0 C--N 1.362 1.259 0 O-C-N 124.406 1.74 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.451 ' HA ' HG12 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -150.23 -44.86 0.13 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.531 1.144 . . . . 0.0 109.914 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.467 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 26.7 m -134.04 -174.51 3.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 0.0 110.068 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 37.84 44.99 1.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.561 1.163 . . . . 0.0 110.988 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -73.78 167.39 21.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.625 0.838 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.59 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -116.59 144.4 44.43 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.16 . . . . 0.0 110.012 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -59.49 74.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 120.98 39.73 0.58 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.606 1.191 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.501 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 3.3 m -82.48 108.07 15.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.424 0.72 . . . . 0.0 110.393 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.471 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.5 t -78.85 127.15 39.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.498 HG13 ' CG2' ' A' ' 8' ' ' THR . 0.0 OUTLIER -153.25 179.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -107.72 135.5 49.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.425 ' CG2' HG22 ' A' ' 7' ' ' VAL . 61.8 t -106.64 105.28 18.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.344 1.028 . . . . 0.0 109.313 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.79 132.96 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.352 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 5' ' ' ALA . . . -109.29 86.58 0.45 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.592 1.183 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.478 ' HB1' ' CB ' ' A' ' 2' ' ' ALA . . . -85.5 100.05 11.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.3 32.12 8.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.592 1.182 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -149.11 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 0.716 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.582 ' HG3' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -84.98 82.39 8.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.359 1.037 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.49 ' HB1' ' CA ' ' A' ' 61' ' ' GLY . . . -59.2 118.08 5.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.623 1.202 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.99 -30.51 7.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 111.068 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.495 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.07 -178.63 5.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.61 0.83 . . . . 0.0 110.411 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.449 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -160.45 140.97 11.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.582 ' CE2' ' HG3' ' A' ' 27' ' ' GLN . 20.7 m-85 -137.46 -179.84 5.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 111.058 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.7 m-20 -90.69 122.26 33.3 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.488 HG23 ' CG1' ' A' ' 55' ' ' VAL . 1.2 t -89.41 141.51 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.552 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 171.78 157.88 14.64 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.395 1.059 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.8 OUTLIER -91.5 107.62 19.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 110.318 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.577 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 1.3 t -107.18 150.16 26.92 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.506 1.129 . . . . 0.0 108.355 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -174.9 161.2 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.515 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 64.0 p-90 -66.27 109.54 2.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.519 1.137 . . . . 0.0 107.964 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.606 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -103.66 -47.66 10.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.547 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 4.5 t70 -91.99 170.44 9.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.079 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.489 ' N ' ' CG ' ' A' ' 41' ' ' ASP . 12.6 m -31.89 95.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.349 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 40.29 26.84 0.13 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 110.951 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.467 ' CG1' HD23 ' A' ' 77' ' ' LEU . 3.0 t -103.15 127.52 56.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.428 0.722 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.464 ' CD2' H172 ' A' ' 130' ' ' NCZ . 0.3 OUTLIER -68.67 107.26 2.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -117.29 136.04 53.39 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.595 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 62.7 m -96.06 160.36 14.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 108.457 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.464 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.9 OUTLIER -85.11 164.7 40.3 Favored Pre-proline 0 C--N 1.323 -0.565 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.574 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.97 -14.51 21.19 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.5 13.0 28.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.242 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.575 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.86 9.99 22.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.388 179.871 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 2.3 m-85 -105.2 89.09 3.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.376 1.048 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.522 ' OG ' ' CD2' ' A' ' 67' ' ' LEU . 7.1 t -149.71 89.83 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.973 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -35.21 151.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.981 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.488 ' CG1' HG23 ' A' ' 34' ' ' VAL . 11.0 p -150.95 148.29 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.444 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -140.4 138.81 35.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.378 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.69 125.22 42.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.093 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.682 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -62.39 158.33 17.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.45 -33.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.167 . . . . 0.0 109.258 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 58' ' ' ASP . 20.2 t-20 -89.24 35.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.682 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.05 42.7 2.37 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.435 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 14.5 m -109.15 103.69 12.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 110.035 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.75 86.73 2.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.242 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.6 p -96.29 81.63 3.33 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.566 1.166 . . . . 0.0 109.95 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.482 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 1.0 OUTLIER -109.23 127.25 54.1 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 52.9 p -100.39 140.74 34.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 110.052 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.522 ' CD2' ' OG ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -153.51 -174.72 5.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 109.213 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 14.4 t -103.85 129.71 51.35 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 124.448 1.093 . . . . 0.0 110.441 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.472 HG22 ' CG2' ' A' ' 19' ' ' VAL . 24.5 t -89.72 85.83 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.416 1.073 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' NE ' ' CA ' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -102.5 103.58 13.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.373 1.046 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -76.3 -31.89 58.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.234 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 27.8 m -94.19 129.35 40.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.48 ' HB3' ' CG ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 163.3 177.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.491 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 3.0 tp10 -80.77 120.86 25.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.11 159.89 26.77 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -133.14 127.96 35.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.96 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 83' ' ' TRP . 4.0 mp -67.86 151.11 47.69 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.388 1.055 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -79.89 -17.89 52.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.43 -48.09 82.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.235 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.15 -26.18 0.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.398 1.061 . . . . 0.0 111.054 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.5 t -90.11 168.97 11.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 0.78 . . . . 0.0 110.357 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -112.56 148.7 33.97 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.606 ' CD1' HG13 ' A' ' 40' ' ' VAL . 37.9 t-105 -103.48 -89.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 142.4 -76.17 0.31 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.366 1.041 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.622 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 1.4 m 66.73 -61.47 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 0.729 . . . . 0.0 110.41 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.622 ' CG2' ' O ' ' A' ' 85' ' ' THR . 0.8 OUTLIER 80.45 -22.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 85' ' ' THR . 2.1 t0 -141.24 103.67 4.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 42.0 t -91.2 43.14 1.13 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.68 1.237 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t -89.64 -14.1 35.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.379 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.7 m -88.65 -51.7 5.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.461 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.2 116.9 29.19 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.49 110.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.457 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -83.49 123.83 30.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.423 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.521 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.9 pt20 -101.72 117.55 35.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.497 HG23 ' CG2' ' A' ' 110' ' ' ILE . 2.8 t -86.04 109.2 18.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -156.54 177.71 33.38 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 33' ' ' ASP . 1.5 pt? -106.23 117.67 34.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.425 0.721 . . . . 0.0 109.33 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.6 t -83.24 129.54 35.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.458 ' HA ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -64.53 161.85 16.57 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.26 10.94 15.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.66 -17.0 24.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.149 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.455 ' C ' ' ND2' ' A' ' 103' ' ' ASN . . . 102.22 42.5 2.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.087 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.455 ' ND2' ' C ' ' A' ' 102' ' ' GLY . 0.2 OUTLIER -140.84 152.4 45.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 0.743 . . . . 0.0 109.195 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.444 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -135.35 62.15 0.62 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.3 Cg_endo -75.11 -32.49 5.21 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.98 141.17 30.53 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.644 1.215 . . . . 0.0 110.336 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 95' ' ' VAL . . . 144.17 126.78 1.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 110' ' ' ILE . 2.1 p -105.37 123.35 59.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.509 0.77 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.89 87.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.661 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.1 OUTLIER -92.52 138.65 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 8.0 p 144.52 -66.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 110.054 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.6 ' C ' ' O ' ' A' ' 111' ' ' SER . 7.1 m-85 18.34 65.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.3 p30 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.576 1.173 . . . . 0.0 109.302 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.595 ' C9 ' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.65 169.98 5.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' THR . 18.7 Cg_endo -74.77 163.52 35.52 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 0.0 111.06 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.424 ' O ' ' HA2' ' A' ' 23' ' ' GLY . 3.5 p 36.37 -149.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.451 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.31 122.21 28.14 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.551 1.157 . . . . 0.0 109.216 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -143.57 143.45 31.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.542 ' CG2' ' CG2' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -74.19 130.6 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.617 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.71 -63.07 0.32 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.339 1.024 . . . . 0.0 110.385 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.617 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 17.8 Cg_endo -75.08 -160.75 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.549 1.815 . . . . 0.0 110.978 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.522 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 15.5 p -151.51 -70.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.891 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.423 ' HB2' ' C ' ' A' ' 112' ' ' PHE . 1.0 OUTLIER -111.04 158.1 19.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.53 26.2 30.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.594 1.184 . . . . 0.0 111.012 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.489 ' CD1' HG23 ' A' ' 110' ' ' ILE . 83.8 mt -90.64 150.44 21.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.556 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.0 t -123.3 156.83 34.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.894 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.43 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 5.5 p-10 -58.16 79.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 134.78 33.3 0.29 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.557 1.16 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.475 ' CG2' HD23 ' A' ' 13' ' ' LEU . 22.4 m -89.49 105.28 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 110.483 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -73.79 116.81 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.542 ' CG2' ' CG2' ' A' ' 7' ' ' VAL . 1.7 m -141.91 171.84 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.373 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -115.75 127.07 54.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.39 1.056 . . . . 0.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 6' ' ' THR . 2.1 t -94.09 110.33 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.55 126.25 35.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.666 1.229 . . . . 0.0 109.211 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -104.67 127.54 9.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.402 1.064 . . . . 0.0 111.01 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.84 102.63 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.402 ' HA2' ' HA3' ' A' ' 61' ' ' GLY . . . 76.88 29.22 57.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.639 1.212 . . . . 0.0 110.988 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.493 HD11 ' CD1' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -77.64 -143.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.582 0.813 . . . . 0.0 109.342 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.704 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 6.8 mm-40 -37.81 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 110.185 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.553 ' C ' ' O ' ' A' ' 27' ' ' GLN . . . 28.7 87.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.209 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.17 -39.05 3.03 Favored Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.404 1.065 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.505 ' HB ' ' CD ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -90.89 -160.68 0.74 Allowed 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.312 0.654 . . . . 0.0 110.346 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -158.21 150.38 21.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.704 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.4 m-30 -144.56 170.14 16.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.441 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -90.5 118.57 30.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.439 1.087 . . . . 0.0 109.222 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.493 HG23 ' CD2' ' A' ' 97' ' ' LEU . 53.1 t -76.41 141.16 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.566 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 170.53 156.91 11.79 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.458 1.099 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 1.0 OUTLIER -92.56 102.69 15.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.576 0.809 . . . . 0.0 110.225 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.66 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 3.7 t -106.18 149.36 26.89 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.135 . . . . 0.0 108.321 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -175.43 166.56 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.602 1.189 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.503 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 45.8 p-90 -69.13 106.55 2.86 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 108.102 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.696 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -90.08 -46.3 14.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.584 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -90.65 -163.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.2 m -63.89 81.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 110.315 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.75 17.7 69.5 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.393 1.058 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.481 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 58.2 t -93.61 111.1 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.457 0.739 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.456 ' CD1' H172 ' A' ' 130' ' ' NCZ . 2.7 mt -62.7 101.17 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.452 ' HB1' ' CG1' ' A' ' 40' ' ' VAL . . . -114.35 141.37 47.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.59 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 37.3 m -101.52 155.46 18.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 108.334 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.471 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.9 OUTLIER -80.63 165.04 48.41 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.528 ' O ' ' CD2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.97 -16.19 20.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.567 1.825 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.53 13.75 29.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.926 ' HD2' ' C8 ' ' A' ' 130' ' ' NCZ . 0.0 OUTLIER -88.59 12.89 13.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 49' ' ' PRO . 4.1 m-85 -105.48 91.35 3.73 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.508 1.13 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.414 ' OG ' ' CD2' ' A' ' 67' ' ' LEU . 37.3 t -144.32 81.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.0 t -40.74 142.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.649 1.218 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 34' ' ' VAL . 1.1 t -159.69 161.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.454 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -134.16 151.49 51.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.618 1.199 . . . . 0.0 110.347 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.45 ' HB3' ' N ' ' A' ' 28' ' ' ALA . . . -105.4 136.76 44.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.597 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -72.15 152.71 42.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.28 -32.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.205 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 58' ' ' ASP . 22.7 t-20 -88.13 38.0 0.83 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.383 1.052 . . . . 0.0 109.221 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 39.46 33.43 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.454 1.096 . . . . 0.0 111.033 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -90.56 99.7 12.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 110.021 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.454 ' CB ' ' HA3' ' A' ' 23' ' ' GLY . . . -105.01 78.76 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.61 1.194 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.9 p -89.13 84.1 6.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.027 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.1 t -105.67 159.68 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 p -134.04 127.42 32.22 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.594 1.183 . . . . 0.0 110.075 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' CD2' ' OG ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -155.1 173.02 17.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.242 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.542 ' CG2' ' C ' ' A' ' 16' ' ' GLY . 93.0 m -106.51 144.39 33.25 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.515 1.134 . . . . 0.0 110.33 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 14' ' ' SER . 10.6 t -92.18 81.88 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.546 1.154 . . . . 0.0 109.393 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.448 ' HD3' ' CA ' ' A' ' 16' ' ' GLY . 8.4 mmt180 -90.5 65.35 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 111' ' ' SER . 4.5 ttm180 -40.27 -33.16 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -89.1 129.48 35.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.01 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.526 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 162.27 173.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.623 1.202 . . . . 0.0 110.951 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.432 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 5.7 tp10 -82.4 112.38 19.3 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.494 1.121 . . . . 0.0 110.231 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.39 162.47 43.85 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.337 1.023 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 1.5 m-85 -138.74 133.04 31.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' CD1' ' HB2' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -71.37 157.02 38.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 109.181 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -87.06 -17.81 32.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -47.23 86.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.23 -26.08 0.31 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.442 1.089 . . . . 0.0 110.972 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 t -89.78 169.63 11.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.385 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.589 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 11.0 ptt-85 -113.82 152.07 31.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.696 ' CD1' HG12 ' A' ' 40' ' ' VAL . 62.8 t-105 -104.57 -86.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 107.964 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.478 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 128.29 -83.64 0.33 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.515 ' OG1' ' CD1' ' A' ' 83' ' ' TRP . 2.8 m 67.99 -60.83 0.4 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 0.763 . . . . 0.0 110.461 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.498 ' CB ' ' O ' ' A' ' 85' ' ' THR . 2.8 t 85.16 -18.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.218 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.458 ' O ' ' CG2' ' A' ' 85' ' ' THR . 6.3 t0 -139.21 100.98 4.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 36.7 t -91.73 44.85 1.19 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.42 ' HA ' ' CD ' ' A' ' 71' ' ' ARG . 9.8 t -90.63 -12.63 36.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.4 m -87.84 -53.51 4.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -93.49 111.85 23.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.387 1.055 . . . . 0.0 109.2 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.63 112.45 0.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 109.239 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.477 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -80.42 126.55 31.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 108.306 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.51 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 15.1 mt-30 -96.65 116.99 30.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 3.6 t -86.72 120.66 36.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -176.97 178.32 48.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.555 1.159 . . . . 0.0 111.051 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.603 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -105.75 130.15 53.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.255 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.561 ' HB3' ' C7 ' ' A' ' 130' ' ' NCZ . 97.2 p -102.26 167.82 9.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.592 1.182 . . . . 0.0 110.054 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.68 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -89.84 157.59 17.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.561 1.163 . . . . 0.0 109.354 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.81 4.99 50.19 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.5 -32.59 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.91 51.26 0.96 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.048 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 105' ' ' PRO . 15.9 m-20 -114.49 154.05 28.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -34.05 94.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.558 1.161 . . . . 0.0 111.083 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.62 ' HG2' ' C1 ' ' A' ' 130' ' ' NCZ . 18.3 Cg_endo -75.0 144.25 30.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.596 1.84 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.06 129.58 37.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.654 1.221 . . . . 0.0 110.37 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -157.45 143.84 9.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.381 1.051 . . . . 0.0 111.059 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 110' ' ' ILE . 3.7 p -105.33 118.72 53.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.07 86.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.604 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -105.59 159.59 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.8 m 150.7 -50.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.036 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.423 ' C ' ' HB2' ' A' ' 11' ' ' SER . 31.6 t80 -170.57 -179.77 3.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m120 . . . . . 0 C--N 1.327 -0.399 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.926 ' C8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 171.88 66.31 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.397 1.06 . . . . 0.0 109.287 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 107.73 2.55 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 1.5 p 46.35 -146.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.397 1.061 . . . . 0.0 110.483 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.446 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -78.41 122.74 26.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -141.7 143.08 33.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.414 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.487 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 1.5 t -83.22 138.36 19.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.709 1.256 . . . . 0.0 109.15 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.5 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -38.5 -51.42 3.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.474 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.03 -174.39 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.446 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 6.9 m -152.56 -40.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.6 p -146.06 171.96 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.601 1.188 . . . . 0.0 109.954 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 13' ' ' LEU . . . 60.11 27.35 64.82 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.53 1.144 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.548 ' C ' ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -45.34 172.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 0.735 . . . . 0.0 109.286 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.551 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -132.95 149.73 52.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.07 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' SER . 6.6 p-10 -38.31 93.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.408 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 65.22 64.27 3.61 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.458 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 6.7 m -77.27 108.69 10.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.389 0.7 . . . . 0.0 110.507 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.423 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.8 t -75.62 119.83 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.407 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.486 ' CG1' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -145.09 -178.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.6 1.187 . . . . 0.0 109.17 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -107.63 138.19 44.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.332 1.02 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 6' ' ' THR . 2.4 t -112.22 100.14 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.356 1.035 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.28 132.27 34.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -112.18 109.19 2.38 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.472 1.107 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 2' ' ' ALA . . . -100.17 108.9 21.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.37 36.86 54.69 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -83.35 -124.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 0.775 . . . . 0.0 109.361 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.646 ' OE1' ' CD2' ' A' ' 32' ' ' TYR . 15.7 mm100 -40.87 -23.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.58 1.175 . . . . 0.0 110.379 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.536 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 67.14 9.38 6.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.353 1.033 . . . . 0.0 109.246 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 136.86 -11.25 3.94 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.49 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -80.3 -168.13 1.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 0.751 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.571 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -144.15 144.25 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.069 . . . . 0.0 109.402 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.646 ' CD2' ' OE1' ' A' ' 27' ' ' GLN . 2.0 m-30 -150.36 -167.03 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.466 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -113.78 127.86 56.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.503 HG23 ' CG1' ' A' ' 55' ' ' VAL . 1.1 t -89.53 150.87 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.103 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.596 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 168.78 152.12 7.55 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.3 104.78 16.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 0.708 . . . . 0.0 110.246 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.608 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 1.8 t -107.42 152.29 24.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.36 1.037 . . . . 0.0 108.264 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -178.09 161.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 29.4 p-90 -62.44 116.19 4.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 107.944 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.603 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -102.61 -40.93 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.658 1.224 . . . . 0.0 109.228 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.438 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 1.8 t70 -83.65 -154.18 0.15 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.455 ' O ' ' CG2' ' A' ' 42' ' ' THR . 11.5 t -85.35 54.11 2.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.47 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.97 3.78 33.91 Favored Glycine 0 CA--C 1.532 1.156 0 O-C-N 124.466 1.104 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.434 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 8.6 t -91.53 114.8 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.804 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.485 ' CD2' H172 ' A' ' 130' ' ' NCZ . 0.2 OUTLIER -62.36 108.54 1.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.476 ' CB ' ' CG1' ' A' ' 40' ' ' VAL . . . -118.98 140.6 49.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.469 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 66.2 m -99.45 158.65 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 108.256 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.552 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -88.45 170.93 10.18 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.379 1.05 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.514 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.01 -12.89 21.5 Favored 'Trans proline' 0 C--N 1.358 1.059 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.21 16.69 24.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.382 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 1.107 ' HD2' ' C8 ' ' A' ' 130' ' ' NCZ . 1.6 t70 -88.23 4.87 44.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -108.23 93.38 4.5 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.474 ' O ' ' C ' ' A' ' 54' ' ' SER . 8.6 t -150.38 86.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.051 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 53' ' ' SER . 88.5 p -33.04 148.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 110.065 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.503 ' CG1' HG23 ' A' ' 34' ' ' VAL . 9.3 p -153.47 159.36 3.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.676 1.235 . . . . 0.0 109.339 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.531 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 1.3 m -152.41 138.05 17.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.396 1.06 . . . . 0.0 110.481 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.518 ' CB ' ' HB2' ' A' ' 27' ' ' GLN . . . -105.22 130.23 53.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -59.27 159.24 7.97 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.335 1.022 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.81 -33.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.209 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' ASP . 22.7 t30 -88.18 36.44 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 0.0 109.343 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.644 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.18 38.05 1.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.407 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 16.4 m -98.82 94.37 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.108 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.56 89.24 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 109.337 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 m -97.33 80.39 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.461 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 3.9 t -108.08 132.36 53.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.401 ' O ' HD21 ' A' ' 67' ' ' LEU . 19.1 p -95.88 142.12 28.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.909 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.433 HD22 ' CB ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -152.96 168.08 27.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.631 1.207 . . . . 0.0 109.225 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 14.9 t -105.02 134.87 47.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 110.419 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.485 HG13 ' CD2' ' A' ' 13' ' ' LEU . 21.7 t -87.49 88.1 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.633 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -87.23 87.5 7.45 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.477 1.111 . . . . 0.0 110.363 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.402 ' CZ ' HD13 ' A' ' 13' ' ' LEU . 4.3 ttm-85 -53.7 -34.05 57.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.302 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.614 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 86.5 p -104.79 128.48 52.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.375 1.047 . . . . 0.0 110.037 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.633 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -177.14 176.08 1.43 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.583 1.177 . . . . 0.0 111.065 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.43 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 2.1 tp10 -94.15 109.71 21.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 110.347 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.52 153.62 49.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.4 1.063 . . . . 0.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 2.6 m-85 -128.72 113.52 15.46 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 0.789 . . . . 0.0 111.01 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 23.6 mt -53.21 155.36 2.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.499 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -74.3 -31.87 62.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.48 -50.69 64.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.49 -22.86 0.56 Allowed Glycine 0 CA--C 1.532 1.128 0 O-C-N 124.583 1.177 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 43.9 m -80.7 153.0 28.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.611 0.83 . . . . 0.0 110.36 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.529 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -99.05 135.59 40.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.369 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.603 ' CD1' HG13 ' A' ' 40' ' ' VAL . 34.0 t-105 -97.53 -89.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.017 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.491 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 146.12 -75.39 0.29 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.549 ' OG1' ' CD1' ' A' ' 83' ' ' TRP . 15.7 m 68.7 -55.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.589 0.817 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 72' ' ' SER . 61.6 t 74.38 -104.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.371 1.044 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.49 110.54 1.71 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.378 1.048 . . . . 0.0 109.309 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 38.3 t -87.84 48.22 1.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 0.0 108.322 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.1 t -93.08 -17.93 23.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.5 m -89.1 -56.92 3.08 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.527 1.142 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.436 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -91.37 147.36 23.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.86 119.69 25.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.26 120.9 26.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 108.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 10.6 mt-30 -96.64 114.12 25.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 110.287 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.431 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 12.7 t -88.11 113.42 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -165.99 179.14 40.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.353 1.033 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.514 ' CD1' ' HB2' ' A' ' 32' ' ' TYR . 1.4 pt? -107.4 144.09 34.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 0.721 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 p -89.88 155.73 18.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.405 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -95.81 157.77 15.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.55 -0.82 31.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.58 -8.98 27.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 62.68 51.09 58.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.339 1.024 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 105' ' ' PRO . 69.5 m-20 -125.05 150.54 46.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -35.43 96.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.39 1.056 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.3 Cg_endo -75.09 176.62 9.68 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.539 1.81 . . . . 0.0 110.961 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.67 106.57 18.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -124.47 132.19 8.15 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.556 1.16 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 110' ' ' ILE . 6.7 p -101.55 119.2 49.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 109.3 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.0 83.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.378 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.542 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -101.47 125.34 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.542 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.3 p 156.65 -53.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.947 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -165.13 97.56 0.72 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.6 1.188 . . . . 0.0 109.277 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 1.107 ' C8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.72 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -145.48 47.31 0.65 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.72 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -75.08 53.7 3.45 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.611 1.848 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 3' ' ' PRO . 30.0 p 47.74 -121.11 1.27 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 110.34 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.413 ' HA ' ' HA2' ' A' ' 23' ' ' GLY . . . -88.59 122.76 32.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -148.54 151.84 35.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.512 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.608 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 5.4 t -83.93 133.52 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.58 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.68 -60.78 0.43 Allowed Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.577 1.173 . . . . 0.0 110.346 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.58 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 17.9 Cg_endo -75.04 -160.35 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.929 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.403 ' O ' HD11 ' A' ' 13' ' ' LEU . 64.2 m -152.64 -62.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.056 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.507 ' CB ' ' HA ' ' A' ' 112' ' ' PHE . 7.6 t -125.26 162.08 25.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.61 1.194 . . . . 0.0 109.944 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.12 20.46 62.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.575 1.172 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.491 ' CD1' ' N ' ' A' ' 111' ' ' SER . 1.1 mp -73.49 160.44 31.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.228 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.9 t -123.83 152.01 42.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.992 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.6 80.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 124.77 37.35 0.55 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.097 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.0 m -88.04 104.87 17.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 0.735 . . . . 0.0 110.48 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.9 t -75.1 119.29 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.608 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 2.4 m -141.47 176.95 3.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 4.3 ttpm? -110.09 129.17 55.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 0.0 109.345 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 6' ' ' THR . 2.7 t -101.95 108.74 24.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.424 1.078 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -90.12 132.92 35.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.237 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -108.28 87.17 0.48 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.513 1.133 . . . . 0.0 111.094 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.4 ' HB1' ' HB2' ' A' ' 2' ' ' ALA . . . -83.41 89.38 7.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 109.419 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.92 30.03 9.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.489 ' CD1' HD21 ' A' ' 97' ' ' LEU . 7.5 tp -78.48 -129.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.594 ' HB3' ' CB ' ' A' ' 30' ' ' THR . 1.6 mp0 -71.39 98.01 1.72 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.0 91.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.62 1.2 . . . . 0.0 109.423 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 66.9 6.91 39.86 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.402 1.064 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.594 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -89.49 177.49 6.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 0.73 . . . . 0.0 110.294 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.538 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -146.86 116.91 7.28 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.498 1.123 . . . . 0.0 109.224 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.579 ' CD2' ' CG ' ' A' ' 27' ' ' GLN . 17.0 m-30 -123.22 -166.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.046 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -103.41 121.46 42.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.509 ' CG1' HD13 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -90.64 139.26 17.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.552 1.158 . . . . 0.0 109.412 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.541 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 174.0 153.42 9.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 0.0 111.103 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.75 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -92.54 111.16 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 0.0 110.278 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.588 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 1.8 t -108.79 153.26 23.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -177.3 159.09 1.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -64.35 115.71 5.35 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.499 1.125 . . . . 0.0 108.049 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.586 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -97.14 -42.6 11.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.238 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.595 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.9 OUTLIER -83.53 -153.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.35 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.2 t -80.85 52.68 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.366 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.11 0.26 35.64 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.58 1.175 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 18.9 t -81.83 112.43 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.631 0.842 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.432 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 2.2 tm? -60.0 107.9 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.249 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.488 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . . . -119.74 138.15 53.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.085 . . . . 0.0 109.283 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.601 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 59.0 m -101.15 157.45 16.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 108.371 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.615 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 1.5 m120 -86.86 165.14 33.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.445 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.513 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -74.88 -9.64 21.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.73 12.23 31.2 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.559 ' OD1' ' C8 ' ' A' ' 130' ' ' NCZ . 0.0 OUTLIER -87.98 7.79 29.48 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.474 1.109 . . . . 0.0 109.377 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -105.51 87.75 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.183 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 54' ' ' SER . 0.3 OUTLIER -148.58 86.37 1.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.367 1.042 . . . . 0.0 109.993 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' SER . 54.2 p -36.07 149.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.025 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.478 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 9.9 p -151.09 157.07 5.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 109.239 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.538 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -148.08 137.64 22.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -106.65 131.6 53.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -51.3 159.56 0.66 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.94 -29.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.43 ' N ' ' C ' ' A' ' 58' ' ' ASP . 3.4 t-20 -88.71 34.09 0.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.91 43.68 6.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.402 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 0.7 OUTLIER -107.11 96.08 6.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 0.714 . . . . 0.0 110.035 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.503 ' CB ' ' HB2' ' A' ' 57' ' ' ALA . . . -105.97 87.24 2.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.1 p -94.85 78.02 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.87 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.478 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 1.2 t -108.8 132.27 54.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 15.2 p -98.96 143.62 29.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.509 HD13 ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -149.4 173.81 13.14 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.5 m -105.59 130.25 53.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.608 1.192 . . . . 0.0 110.351 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.7 t -87.74 87.34 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.173 . . . . 0.0 109.32 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.632 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 35.4 mtt-85 -95.48 75.39 3.3 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.51 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 1.4 ttp85 -37.47 -30.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.285 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.506 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 41.9 m -94.87 116.24 28.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.632 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -160.17 161.06 33.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.448 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 2.3 tp10 -86.37 94.23 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.074 . . . . 0.0 110.298 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.401 ' HA3' ' CG2' ' A' ' 40' ' ' VAL . . . -52.45 150.74 8.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -134.99 106.51 6.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 0.728 . . . . 0.0 110.934 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 81' ' ' THR . 1.6 mp -49.49 145.7 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -70.84 -25.36 62.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.64 -29.75 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.621 1.201 . . . . 0.0 109.237 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.7 -10.86 6.34 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.545 1.153 . . . . 0.0 111.072 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.494 ' O ' ' CD1' ' A' ' 77' ' ' LEU . 16.7 m -89.82 145.78 24.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.337 0.669 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -94.73 135.67 35.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.595 ' CE3' ' OD2' ' A' ' 41' ' ' ASP . 72.2 t-105 -103.79 -90.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 107.98 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 145.17 -81.86 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.5 ' O ' ' HB ' ' A' ' 86' ' ' VAL . 2.2 m 66.76 -56.98 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 110.507 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' A' ' 72' ' ' SER . 95.2 t 71.31 -105.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 124.421 1.075 . . . . 0.0 109.257 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.413 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.5 OUTLIER -50.59 110.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 41.9 t -90.06 43.9 1.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 108.248 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.8 p -88.12 -21.89 24.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 m -88.53 -56.75 3.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.362 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.435 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.72 155.19 18.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.645 1.216 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.08 126.66 36.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.16 . . . . 0.0 109.199 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.76 121.52 33.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.59 1.181 . . . . 0.0 108.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.503 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 16.4 mt-30 -99.15 113.15 25.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.351 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 2.6 t -87.54 113.16 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.387 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -161.62 176.02 38.14 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.413 1.07 . . . . 0.0 111.062 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.503 ' CD1' ' HB2' ' A' ' 32' ' ' TYR . 1.5 pt? -105.71 134.74 48.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.395 0.703 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.519 ' HB3' ' C8 ' ' A' ' 130' ' ' NCZ . 60.7 p -86.72 136.64 32.94 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.581 1.176 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -70.18 160.8 31.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.385 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.42 0.3 46.73 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.393 1.058 . . . . 0.0 109.358 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -100.13 -11.5 20.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.236 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.35 52.82 11.65 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.43 1.081 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLY . 78.2 m-20 -121.55 144.07 48.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.579 0.811 . . . . 0.0 109.32 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.72 97.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.516 ' HG2' ' C3 ' ' A' ' 130' ' ' NCZ . 18.5 Cg_endo -75.05 168.2 25.33 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.11 108.15 19.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.62 1.2 . . . . 0.0 110.227 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -116.63 139.48 15.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.9 p -100.6 122.88 53.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 0.73 . . . . 0.0 109.31 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.96 88.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.548 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.7 OUTLIER -98.79 139.06 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER 155.84 -55.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.389 1.055 . . . . 0.0 109.981 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.507 ' HA ' ' CB ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -169.75 156.42 6.37 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.483 ' N ' ' HB2' ' A' ' 11' ' ' SER . 1.4 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.601 ' C10' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.412 ' O ' ' HB1' ' A' ' 24' ' ' ALA . . . -156.14 66.4 4.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.165 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 104.81 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.457 ' O ' ' O ' ' A' ' 22' ' ' ALA . 71.3 p 44.36 -141.13 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 110.399 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 22' ' ' ALA . . . -74.61 117.16 16.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.55 146.28 39.7 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.486 ' CG1' ' HB ' ' A' ' 19' ' ' VAL . 2.5 t -86.98 117.9 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.765 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -53.41 -70.31 0.29 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.765 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.98 55.56 3.97 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 111' ' ' SER . 91.5 p -88.05 24.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.46 126.62 53.65 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.414 1.071 . . . . 0.0 110.084 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.95 49.42 13.32 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.509 ' CD2' HG23 ' A' ' 69' ' ' VAL . 3.2 mp -62.95 172.35 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -139.48 154.35 47.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.04 87.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 112.86 37.39 1.4 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -93.15 121.6 34.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.42 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -74.34 114.62 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.585 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 26.8 m -121.3 159.17 23.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.493 1.12 . . . . 0.0 109.235 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -106.63 113.9 27.68 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 63' ' ' ALA . 3.1 t -88.98 93.89 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.46 117.36 28.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.448 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -98.53 97.94 1.95 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 2' ' ' ALA . . . -95.09 98.47 10.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.769 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.29 32.82 10.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -95.23 -142.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 0.0 109.364 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.637 ' CG ' ' CD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -49.59 90.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.08 75.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.606 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 85.27 3.28 87.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.504 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -93.67 -174.49 3.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 0.747 . . . . 0.0 110.453 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.535 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -146.97 145.04 29.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.622 1.201 . . . . 0.0 109.226 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.637 ' CD2' ' CG ' ' A' ' 27' ' ' GLN . 13.0 m-30 -142.98 -167.86 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.886 ' HD2' ' HG ' ' A' ' 98' ' ' SER . 5.3 p-10 -103.39 114.33 28.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.435 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.575 ' CG1' ' CD1' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -88.32 133.83 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.619 1.199 . . . . 0.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.605 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . -178.17 153.41 12.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.356 1.035 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.525 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -92.33 104.0 16.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.232 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.572 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 1.8 t -106.65 151.16 25.44 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 177.05 163.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.7 m-90 -60.21 110.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 107.911 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.596 HG11 ' CD1' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -100.04 -39.24 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.429 1.081 . . . . 0.0 109.348 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.59 ' OD2' ' CZ3' ' A' ' 83' ' ' TRP . 3.7 t0 -84.63 -156.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.347 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.497 ' O ' ' CG2' ' A' ' 42' ' ' THR . 6.6 t -82.44 54.42 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.14 1.61 35.84 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.391 1.057 . . . . 0.0 111.054 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 4.9 t -89.38 122.15 40.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.602 0.825 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.461 ' CD2' H172 ' A' ' 130' ' ' NCZ . 0.4 OUTLIER -67.84 105.7 2.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.496 ' CB ' ' CG1' ' A' ' 40' ' ' VAL . . . -117.36 140.65 49.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.563 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 58.6 m -98.3 157.7 16.02 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 108.289 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.587 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.9 OUTLIER -82.07 163.36 53.45 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.38 1.05 . . . . 0.0 109.347 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.528 ' CD ' ' HB3' ' A' ' 73' ' ' PHE . 18.1 Cg_endo -74.98 -16.2 20.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.39 16.43 26.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.611 1.194 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.829 ' HD2' ' H8 ' ' A' ' 130' ' ' NCZ . 0.0 OUTLIER -88.25 9.48 22.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.462 ' CD2' ' O ' ' A' ' 49' ' ' PRO . 1.8 m-85 -105.57 87.08 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.484 ' CB ' HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -151.14 87.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.0 p -43.98 139.1 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.534 HG23 ' CG2' ' A' ' 65' ' ' THR . 5.6 p -126.01 161.65 31.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.379 1.05 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.506 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -147.36 126.62 13.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.417 1.073 . . . . 0.0 110.518 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.452 ' HB3' ' CB ' ' A' ' 63' ' ' ALA . . . -104.07 132.21 50.55 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -50.29 158.66 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.611 1.195 . . . . 0.0 109.367 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.45 -28.87 0.14 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 58' ' ' ASP . 10.9 t30 -88.18 33.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.34 42.53 5.62 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.355 1.034 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.422 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 1.5 m -106.47 98.85 8.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.282 0.637 . . . . 0.0 109.969 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 57' ' ' ALA . . . -106.12 79.2 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.628 1.205 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 m -94.29 71.92 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.534 ' CG2' HG23 ' A' ' 55' ' ' VAL . 70.2 p -111.39 136.99 49.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.3 p -99.15 142.07 31.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.575 ' CD1' ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -137.04 170.47 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 35.1 m -94.81 129.7 41.67 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.516 HG13 ' CZ ' ' A' ' 71' ' ' ARG . 47.1 t -89.71 87.06 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.5 79.8 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.204 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.516 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -56.36 -29.6 61.61 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.426 1.079 . . . . 0.0 110.247 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 0.6 OUTLIER -85.6 111.91 20.49 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.351 1.032 . . . . 0.0 109.991 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.528 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 179.53 164.4 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 111.053 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.486 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 12.8 tt0 -81.42 118.74 22.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.371 1.045 . . . . 0.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.67 168.6 43.9 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -140.45 122.5 15.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.939 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -63.41 137.89 58.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -57.85 -26.84 62.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.89 -52.87 46.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 154.71 -21.7 0.61 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.466 1.104 . . . . 0.0 111.051 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.4 m -87.34 148.07 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 0.815 . . . . 0.0 110.397 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -90.88 141.98 28.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.621 1.2 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.596 ' CD1' HG11 ' A' ' 40' ' ' VAL . 58.1 t-105 -105.64 -90.98 0.4 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.501 1.126 . . . . 0.0 108.073 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.495 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 146.23 -80.66 0.22 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.543 ' O ' ' HB ' ' A' ' 86' ' ' VAL . 5.2 m 68.85 -56.41 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.602 0.825 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.543 ' HB ' ' O ' ' A' ' 85' ' ' THR . 60.5 t 76.82 -103.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 0.0 109.24 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.19 89.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.602 1.189 . . . . 0.0 109.371 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 13.7 t -73.59 60.54 0.68 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.474 1.109 . . . . 0.0 108.353 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.599 ' O ' ' CZ ' ' A' ' 112' ' ' PHE . 9.8 t -103.6 -12.15 17.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.4 m -89.98 -57.86 2.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 110.524 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.421 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.05 124.91 35.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.7 120.61 9.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.4 1.063 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.406 ' HB2' ' NH1' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -90.26 126.17 35.75 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.493 1.12 . . . . 0.0 108.37 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.522 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 6.4 mt-30 -98.06 110.63 23.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.532 ' CG2' ' CD1' ' A' ' 110' ' ' ILE . 19.1 t -86.54 105.3 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -153.85 175.4 32.16 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.546 1.154 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.491 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -108.77 135.71 49.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 0.739 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.886 ' HG ' ' HD2' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -93.44 133.9 36.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.941 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.63 160.97 31.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.94 11.36 16.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.43 -24.7 18.76 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.419 1.074 . . . . 0.0 109.247 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 110.31 38.68 1.61 Allowed Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.426 1.079 . . . . 0.0 111.063 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.65 152.63 48.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.468 0.746 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.429 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -134.89 62.77 0.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.2 Cg_endo -75.08 -26.35 10.87 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.456 1.766 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.42 ' CB ' HD21 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -79.92 142.54 35.04 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.79 109.76 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.944 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 8.9 p -92.7 134.26 31.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.489 0.758 . . . . 0.0 109.351 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.09 94.72 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.549 1.156 . . . . 0.0 109.375 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.532 ' CD1' ' CG2' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -71.02 118.54 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 10' ' ' SER . 7.9 t -73.4 57.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.832 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 89' ' ' THR . 19.9 p90 -34.89 153.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.603 1.189 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.34 1.025 . . . . 0.0 109.337 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.829 ' H8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.35 107.84 0.35 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.37 1.044 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 129.66 12.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 22' ' ' ALA . 1.5 p 40.45 -149.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.434 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.416 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -78.72 117.55 19.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.565 1.165 . . . . 0.0 109.347 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.53 146.25 39.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.372 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.649 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -87.43 127.75 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.732 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -28.79 -69.43 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 110.35 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.732 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.96 -159.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 6.1 m -148.43 -79.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.964 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.0 t -107.13 160.89 15.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.44 1.088 . . . . 0.0 110.072 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.82 30.19 32.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.417 1.073 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.485 ' CD1' HG23 ' A' ' 110' ' ' ILE . 9.7 mt -78.45 164.94 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.234 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.609 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.0 OUTLIER -125.87 149.7 48.47 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.458 1.099 . . . . 0.0 109.919 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -56.61 77.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.609 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 123.72 39.37 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.064 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 14' ' ' SER . 59.3 m -88.87 110.9 21.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.399 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -73.48 124.56 30.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.486 ' CG2' HG13 ' A' ' 7' ' ' VAL . 4.6 m -143.08 160.52 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -95.58 125.1 39.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 65' ' ' THR . 58.9 t -102.54 98.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -90.35 123.73 34.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.433 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -110.05 82.3 0.3 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.0 116.91 21.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.392 0.701 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.0 40.72 98.49 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.539 1.149 . . . . 0.0 111.053 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.522 ' CD1' ' N ' ' A' ' 27' ' ' GLN . 3.4 tm? -103.69 -94.65 0.32 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.62 0.835 . . . . 0.0 109.371 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.553 ' CG ' ' CD2' ' A' ' 32' ' ' TYR . 15.0 mt-30 -48.81 -21.77 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.401 1.063 . . . . 0.0 110.292 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 71.26 6.65 5.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.671 1.232 . . . . 0.0 109.363 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.58 0.54 23.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.585 1.178 . . . . 0.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -80.54 -158.86 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 0.738 . . . . 0.0 110.428 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.585 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -136.65 115.54 12.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.412 1.07 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.57 ' CD1' ' HA ' ' A' ' 99' ' ' ASP . 16.3 m-30 -122.75 163.96 19.21 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.432 1.082 . . . . 0.0 110.985 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' SER . 22.4 m-20 -88.82 119.26 29.15 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.55 ' CG2' ' CG1' ' A' ' 55' ' ' VAL . 61.0 t -78.04 131.86 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.369 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.543 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 173.42 150.62 7.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.742 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -93.93 113.97 26.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 110.278 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.558 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 0.7 OUTLIER -108.72 148.38 30.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.254 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.426 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -170.06 159.75 7.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.209 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 14.9 p90 -69.92 111.72 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 108.021 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.598 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -95.07 -45.36 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.593 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -90.25 -163.32 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.402 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 m -66.46 83.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.353 1.033 . . . . 0.0 110.347 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.9 25.09 71.83 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.486 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 74.2 t -102.84 109.22 26.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 109.291 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.488 ' CD2' H172 ' A' ' 130' ' ' NCZ . 0.2 OUTLIER -62.16 99.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . . . -110.77 140.19 45.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.638 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 16.3 m -104.4 155.6 18.65 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.538 1.149 . . . . 0.0 108.225 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.637 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -84.97 169.48 16.25 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.55 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.13 -10.25 20.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.56 13.68 29.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.4 1.062 . . . . 0.0 109.384 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.766 ' HD2' ' H8 ' ' A' ' 130' ' ' NCZ . 0.2 OUTLIER -90.07 6.83 40.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 2.2 m-85 -106.62 91.38 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.472 ' CB ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -145.27 78.17 1.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 110.056 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p -45.69 139.34 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.55 ' CG1' ' CG2' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -164.0 161.33 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.585 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -132.79 158.41 42.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 110.29 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.505 ' HB3' ' CB ' ' A' ' 63' ' ' ALA . . . -106.89 152.95 23.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -66.06 158.76 27.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.234 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.61 -29.41 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 0.0 109.24 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 58' ' ' ASP . 3.5 t-20 -88.35 34.54 0.75 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.525 1.141 . . . . 0.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.59 41.45 3.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.43 1.081 . . . . 0.0 111.065 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 14.0 m -108.87 100.7 9.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 0.798 . . . . 0.0 110.037 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.505 ' CB ' ' HB3' ' A' ' 57' ' ' ALA . . . -105.19 86.86 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.355 1.035 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.8 p -88.51 76.87 8.14 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.585 1.178 . . . . 0.0 109.852 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.451 HG23 ' CG2' ' A' ' 34' ' ' VAL . 2.5 t -106.38 140.13 39.78 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 0.0 110.493 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.1 p -103.84 139.31 39.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.472 HD23 ' CB ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -145.34 168.73 19.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.2 t -104.21 133.78 48.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.373 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 81.3 t -88.44 85.95 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.684 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 2.6 mtp180 -89.5 71.74 7.95 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.518 1.137 . . . . 0.0 110.246 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 25.3 ttm180 -34.88 -33.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 1.0 OUTLIER -97.49 121.02 38.91 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.114 . . . . 0.0 110.08 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.684 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -167.62 170.04 11.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.938 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.436 ' OE1' ' CA ' ' A' ' 84' ' ' GLY . 5.0 tp10 -90.8 110.8 22.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.61 138.98 32.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.623 1.202 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.569 ' CZ ' ' HG2' ' A' ' 82' ' ' ARG . 4.6 m-85 -122.91 109.88 14.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.482 HD22 ' CG2' ' A' ' 81' ' ' THR . 0.2 OUTLIER -58.43 132.79 54.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.391 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -59.29 -22.19 60.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -53.14 61.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.357 1.036 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.22 -27.04 0.43 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.482 ' CG2' HD22 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -82.57 150.04 27.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 0.726 . . . . 0.0 110.434 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HG2' ' CZ ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -98.76 138.29 36.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.598 ' CD1' HG13 ' A' ' 40' ' ' VAL . 69.1 t-105 -100.67 -89.59 0.34 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.478 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 142.04 -81.3 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.544 ' O ' ' HB ' ' A' ' 86' ' ' VAL . 1.2 m 69.02 -57.64 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 110.358 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.544 ' HB ' ' O ' ' A' ' 85' ' ' THR . 59.9 t 75.99 -102.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.404 ' N ' HG11 ' A' ' 86' ' ' VAL . 2.6 t0 -54.64 106.83 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 44.8 t -86.43 47.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.334 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.3 t -92.87 -20.86 20.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 m -88.35 -57.12 3.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.45 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.412 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.47 148.02 23.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.171 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.96 124.12 32.05 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.426 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -90.15 121.48 32.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.474 1.109 . . . . 0.0 108.401 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.541 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 29.1 mt-30 -96.31 112.45 24.19 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.639 1.212 . . . . 0.0 110.231 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.44 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 2.5 t -87.95 126.02 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -177.14 169.53 41.85 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.63 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -106.94 113.38 26.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 0.743 . . . . 0.0 109.359 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 33' ' ' ASP . 8.9 t -98.12 164.13 12.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.923 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.57 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -52.76 163.49 0.46 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.84 -38.82 36.76 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.04 -27.84 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.227 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ASP . . . 94.42 20.29 30.16 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.555 1.159 . . . . 0.0 111.071 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -89.63 143.88 26.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.59 0.817 . . . . 0.0 109.196 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.52 123.04 5.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.56 1.163 . . . . 0.0 111.039 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.461 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.5 Cg_endo -74.93 55.38 3.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.419 ' O ' ' C18' ' A' ' 130' ' ' NCZ . 1.4 mp0 -90.84 99.62 12.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 172.42 145.36 4.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.396 1.06 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 108' ' ' VAL . 11.2 p -105.4 130.61 56.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 O-C-N 124.438 0.728 . . . . 0.0 109.219 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.61 90.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.571 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -112.18 144.33 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.383 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.3 p 154.18 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.041 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -176.59 169.89 2.52 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.472 1.108 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.401 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.766 ' H8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.537 ' N ' ' CD ' ' A' ' 3' ' ' PRO . . . -64.74 -50.78 62.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.379 1.049 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 2' ' ' ALA . 18.2 Cg_endo -75.03 -166.98 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.6 1.842 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.477 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 3.9 p 44.97 -137.98 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.453 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.527 ' HB3' ' CD2' ' A' ' 97' ' ' LEU . . . -79.69 133.0 36.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.594 1.184 . . . . 0.0 109.228 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.604 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.6 OUTLIER -151.19 179.46 8.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.532 ' N ' ' OG1' ' A' ' 6' ' ' THR . 0.3 OUTLIER -116.63 134.23 60.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.511 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -43.05 -57.26 5.3 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.56 1.162 . . . . 0.0 110.379 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.516 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 18.0 Cg_endo -74.99 -159.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.613 1.849 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' GLY . 50.4 m -148.66 -45.4 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.055 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 13' ' ' LEU . 67.7 m -69.37 63.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.469 ' O ' HG13 ' A' ' 69' ' ' VAL . . . -39.42 -27.55 0.09 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.525 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 4.0 pp -81.29 60.61 4.45 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.452 0.736 . . . . 0.0 109.238 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.659 ' O ' ' C ' ' A' ' 15' ' ' ASP . 41.3 t -127.43 81.8 2.04 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.618 1.199 . . . . 0.0 110.059 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.659 ' C ' ' O ' ' A' ' 14' ' ' SER . 2.1 m-20 16.73 78.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 69' ' ' VAL . . . 36.82 66.87 0.46 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.428 1.08 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.446 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 1.0 OUTLIER -73.87 124.49 26.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 110.428 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.457 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.0 OUTLIER -93.85 126.9 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.516 ' CG1' ' HG3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -149.09 -168.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.368 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -117.71 138.45 52.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.604 ' HA ' ' O ' ' A' ' 6' ' ' THR . 2.6 t -104.28 114.98 45.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.94 139.99 30.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.434 1.084 . . . . 0.0 109.119 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -118.72 101.61 0.89 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.02 104.18 16.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.353 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.52 30.23 25.01 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -90.87 -144.4 0.18 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 0.77 . . . . 0.0 109.336 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.606 ' OE1' ' CE1' ' A' ' 32' ' ' TYR . 21.0 mm-40 -51.51 89.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.81 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 74.86 7.21 80.5 Favored Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.548 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -89.81 -178.2 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.797 . . . . 0.0 110.335 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.497 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -137.23 116.67 12.79 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.121 . . . . 0.0 109.374 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.606 ' CE1' ' OE1' ' A' ' 27' ' ' GLN . 2.9 m-30 -118.45 -168.06 1.47 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.72 ' HD2' ' HA ' ' A' ' 52' ' ' PHE . 2.8 t0 -122.63 117.09 24.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 109.164 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.494 HG22 ' CG2' ' A' ' 55' ' ' VAL . 1.3 t -74.51 142.62 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.6 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 174.73 152.86 9.5 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.482 1.114 . . . . 0.0 111.064 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.463 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -94.74 101.26 13.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.629 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 5.3 t -106.22 149.83 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 108.333 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -177.25 159.87 1.64 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.7 p90 -64.71 114.23 4.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 108.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.675 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -97.8 -42.73 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.455 ' CB ' ' HB ' ' A' ' 44' ' ' VAL . 0.6 OUTLIER -90.9 -161.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.7 m -68.25 79.16 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.75 25.04 75.99 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.547 1.154 . . . . 0.0 110.941 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 88.1 t -103.43 110.06 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.404 0.708 . . . . 0.0 109.378 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.9 mt -58.32 102.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.06 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.546 ' CB ' ' CG1' ' A' ' 40' ' ' VAL . . . -114.23 130.16 56.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.588 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 17.5 m -97.03 156.34 16.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 108.405 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.599 ' ND2' ' CE1' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -85.29 163.4 45.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.526 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.98 -8.77 20.39 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.72 15.78 23.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 109.265 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.931 ' HD2' ' C8 ' ' A' ' 130' ' ' NCZ . 0.0 OUTLIER -88.35 12.9 12.88 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.53 1.144 . . . . 0.0 109.218 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.72 ' HA ' ' HD2' ' A' ' 33' ' ' ASP . 1.1 m-85 -105.6 94.95 5.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.511 ' H ' ' HD2' ' A' ' 33' ' ' ASP . 42.4 t -145.17 81.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.079 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.9 p -45.7 133.14 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.37 1.044 . . . . 0.0 110.044 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.494 ' CG2' HG22 ' A' ' 34' ' ' VAL . 7.0 m -151.29 169.06 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.241 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.497 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -145.71 147.1 31.59 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.548 1.155 . . . . 0.0 110.39 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -107.5 146.87 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -66.49 158.24 30.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.625 1.203 . . . . 0.0 109.225 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.39 -28.01 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.443 ' N ' ' C ' ' A' ' 58' ' ' ASP . 5.1 t30 -88.66 33.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 44.6 40.6 6.51 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.638 1.211 . . . . 0.0 111.062 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.407 ' HB2' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -100.9 96.46 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 0.0 109.96 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.1 101.29 13.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.343 1.027 . . . . 0.0 109.363 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.4 m -100.16 83.8 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.373 1.045 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.46 ' CG2' HG12 ' A' ' 21' ' ' VAL . 2.6 t -106.54 167.12 10.06 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.8 p -146.81 139.32 24.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.077 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 tp -166.92 177.0 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 15.1 t -107.5 145.79 32.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.477 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 12' ' ' GLY . 15.0 p -89.0 84.88 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.457 ' CG ' HG23 ' A' ' 68' ' ' THR . 9.2 mtt180 -88.21 77.98 8.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.347 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -40.31 -39.89 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 2.2 p -83.8 115.2 22.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.599 ' CE1' ' ND2' ' A' ' 48' ' ' ASN . 7.2 p90 -159.14 155.34 27.05 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.426 1.079 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.411 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 3.5 tp10 -86.93 93.23 9.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.03 155.07 2.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -143.4 107.31 4.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 0.726 . . . . 0.0 110.99 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.413 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . 4.5 mt -48.58 129.67 16.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -54.26 -29.39 46.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.955 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -55.56 -50.79 69.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.375 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.44 -25.61 0.53 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.939 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.0 m -75.78 141.25 42.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.385 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -93.85 138.77 31.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.675 ' CD1' HG12 ' A' ' 40' ' ' VAL . 67.1 t-105 -105.13 -87.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 108.043 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.473 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 140.12 -83.01 0.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 111.072 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.492 ' O ' ' HB ' ' A' ' 86' ' ' VAL . 1.4 m 67.79 -57.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.389 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.492 ' HB ' ' O ' ' A' ' 85' ' ' THR . 61.9 t 72.34 -103.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.04 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.486 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 49.4 t -74.81 59.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 108.35 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 t -100.61 -25.05 14.3 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.364 1.04 . . . . 0.0 110.338 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 m -89.06 -47.43 8.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.76 147.02 23.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -87.89 118.01 27.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.413 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -91.93 123.22 35.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 108.257 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.463 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 8.4 mt-30 -97.7 115.59 28.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.351 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.461 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 18.3 t -87.95 105.74 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.412 1.07 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -153.09 175.31 31.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.527 ' CD2' ' HB3' ' A' ' 5' ' ' ALA . 1.4 pt? -106.9 128.1 54.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 0.815 . . . . 0.0 109.227 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.515 ' HB3' ' C8 ' ' A' ' 130' ' ' NCZ . 99.7 p -89.1 162.64 15.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.961 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.524 ' OD1' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -88.91 159.03 17.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.39 0.45 29.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.29 -89.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.632 1.207 . . . . 0.0 109.301 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -172.17 34.3 0.14 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.414 1.071 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.403 ' HB2' ' HD2' ' A' ' 99' ' ' ASP . 1.1 m-80 -147.65 158.45 44.01 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.578 0.811 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.532 ' O ' ' C2 ' ' A' ' 130' ' ' NCZ . . . -171.76 65.15 0.14 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.593 1.183 . . . . 0.0 111.06 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 1.24 7.93 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.484 ' O ' ' C18' ' A' ' 130' ' ' NCZ . 0.0 OUTLIER -85.95 144.23 27.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 110.212 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 148.87 130.4 1.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.623 1.202 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.7 p -93.83 127.46 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.588 0.816 . . . . 0.0 109.278 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.24 88.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.617 1.198 . . . . 0.0 109.171 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.558 ' O ' ' CB ' ' A' ' 111' ' ' SER . 1.7 tt -85.37 148.84 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.4 p 154.72 -62.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.941 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -153.92 121.38 5.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 . . . . . 0 C--N 1.323 -0.555 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.931 ' C8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.45 ' CB ' ' HB1' ' A' ' 24' ' ' ALA . . . -145.2 106.85 4.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 90.13 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.451 1.764 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.485 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.4 p 43.88 -158.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.451 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.483 ' CB ' HD13 ' A' ' 26' ' ' LEU . . . -65.66 119.54 11.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.221 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.417 HG21 ' CG2' ' A' ' 108' ' ' VAL . 1.2 p -147.55 148.64 31.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.422 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.574 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 8.2 t -80.01 131.96 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.37 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.64 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -39.87 -63.39 0.69 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.181 . . . . 0.0 110.327 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.64 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.03 -158.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -142.18 -42.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 110.069 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 13' ' ' LEU . 75.0 m -62.8 78.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.875 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.524 ' C ' ' H ' ' A' ' 14' ' ' SER . . . -74.54 9.63 10.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.004 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.55 ' CD1' ' O ' ' A' ' 111' ' ' SER . 1.2 mt -77.02 33.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 0.731 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.524 ' H ' ' C ' ' A' ' 12' ' ' GLY . 41.3 t -125.04 75.54 1.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.479 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 8.4 p-10 -49.64 90.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 115.69 33.65 1.53 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.437 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.6 OUTLIER -91.0 117.92 29.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.429 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -88.52 118.58 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.574 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 0.9 OUTLIER -142.21 -178.25 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 9.3 tttt -109.6 132.54 54.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 6' ' ' THR . 55.4 t -107.61 103.64 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.39 1.056 . . . . 0.0 109.365 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -90.72 125.0 35.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.485 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -113.35 96.41 0.81 Allowed Glycine 0 CA--C 1.528 0.847 0 O-C-N 124.477 1.111 . . . . 0.0 110.947 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' HB1' ' CB ' ' A' ' 2' ' ' ALA . . . -96.66 118.85 34.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.352 0.678 . . . . 0.0 109.41 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.44 38.77 52.04 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.4 1.063 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.495 HD12 ' CD2' ' A' ' 97' ' ' LEU . 2.3 tt -99.06 -110.63 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 0.729 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.517 ' HB2' ' CB ' ' A' ' 57' ' ' ALA . 6.0 mp0 -44.25 -23.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.604 1.19 . . . . 0.0 110.341 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 26' ' ' LEU . . . 65.58 20.1 11.58 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.466 1.104 . . . . 0.0 109.224 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 119.17 -4.87 13.65 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -87.57 -161.92 0.75 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.572 0.807 . . . . 0.0 110.409 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.511 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -149.74 145.34 26.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 0.0 109.398 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 99' ' ' ASP . 11.3 m-85 -151.18 -170.51 3.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.563 1.164 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.501 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.3 m-20 -101.95 127.49 48.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.611 1.194 . . . . 0.0 109.396 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.478 HG12 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -91.41 150.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.257 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.571 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 165.67 157.41 9.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.442 ' HB2' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -94.33 103.6 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 0.737 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.653 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 4.3 t -108.22 157.53 18.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.349 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . 176.99 160.82 0.41 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.651 1.219 . . . . 0.0 109.249 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.422 ' CG ' ' O ' ' A' ' 39' ' ' TRP . 18.6 p-90 -64.24 107.71 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 108.019 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -99.79 -48.62 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.629 1.206 . . . . 0.0 109.246 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.51 ' CG ' ' N ' ' A' ' 42' ' ' THR . 1.1 t70 -93.99 169.72 10.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.226 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.51 ' N ' ' CG ' ' A' ' 41' ' ' ASP . 6.2 m -32.72 96.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 41.81 25.85 0.24 Allowed Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.412 1.07 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.481 ' CG1' HD22 ' A' ' 77' ' ' LEU . 3.4 t -102.52 116.01 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.4 0.706 . . . . 0.0 109.202 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.444 ' CD2' H172 ' A' ' 130' ' ' NCZ . 8.0 tp -63.39 105.09 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.17 . . . . 0.0 109.242 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -117.0 138.68 51.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.481 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 19.0 m -102.6 155.1 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 108.387 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.537 ' ND2' ' N ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -81.03 168.25 26.37 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 73' ' ' PHE . 18.6 Cg_endo -74.99 -11.54 21.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.2 14.46 27.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.635 1.209 . . . . 0.0 109.366 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 1.123 ' HD2' ' C8 ' ' A' ' 130' ' ' NCZ . 0.8 OUTLIER -86.83 9.73 18.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.466 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -107.55 90.78 3.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.478 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -150.93 87.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.613 1.195 . . . . 0.0 110.044 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 53' ' ' SER . 50.5 p -35.95 152.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.885 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.461 HG23 ' CG2' ' A' ' 65' ' ' THR . 7.5 p -155.23 160.51 2.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.408 1.068 . . . . 0.0 109.238 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.511 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 2.7 m -150.81 135.31 17.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.31 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.517 ' CB ' ' HB2' ' A' ' 27' ' ' GLN . . . -105.43 127.9 53.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.601 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -49.26 160.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.36 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.79 -30.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.348 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.432 ' N ' ' C ' ' A' ' 58' ' ' ASP . 4.5 t-20 -89.0 35.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.384 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.05 41.49 3.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.581 1.176 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 1.3 m -105.55 93.87 4.9 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.406 0.709 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.86 89.34 2.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.182 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 90.6 p -98.73 82.71 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.644 1.215 . . . . 0.0 109.976 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.461 ' CG2' HG23 ' A' ' 55' ' ' VAL . 3.1 t -110.11 138.82 45.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.493 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 42.4 p -98.43 138.12 36.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.053 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -149.46 176.48 10.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.382 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 93.5 m -105.38 137.65 42.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.605 1.191 . . . . 0.0 110.402 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.0 t -92.95 87.14 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -87.46 66.45 9.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.626 1.204 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 3.5 ttm180 -40.53 -31.8 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.579 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -102.79 127.76 49.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.974 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.544 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 174.27 166.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -82.45 107.27 14.98 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.67 169.41 47.95 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.596 1.185 . . . . 0.0 110.989 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -142.3 123.17 14.38 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.395 0.703 . . . . 0.0 110.97 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.481 HD22 ' CG1' ' A' ' 44' ' ' VAL . 2.1 mp -58.83 149.02 27.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.472 ' CD1' ' N ' ' A' ' 79' ' ' ASP . 34.4 p90 -65.45 -32.57 74.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 111.07 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.472 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 23.9 t0 -46.28 -46.29 17.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.671 1.232 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 145.25 -15.06 1.88 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.3 m -90.67 153.92 19.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 110.329 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.88 140.61 29.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.489 ' CD2' ' HB2' ' A' ' 41' ' ' ASP . 46.0 t-105 -106.27 -92.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.62 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 155.23 -109.67 0.41 Allowed Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.616 1.197 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.62 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 18.7 m 90.79 -53.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.429 0.723 . . . . 0.0 110.344 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 72' ' ' SER . 60.5 t 68.08 -105.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.454 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -64.08 93.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 13.3 t -71.2 60.29 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.677 1.235 . . . . 0.0 108.294 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' ASP . 14.9 t -97.61 -19.99 17.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.09 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.5 m -87.76 -53.84 4.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.343 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.43 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.41 155.68 18.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.458 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -90.09 119.83 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.15 121.38 32.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 108.335 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 23.3 mt-30 -102.13 121.77 42.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 20.6 t -89.51 114.14 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -166.91 175.1 42.23 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.501 ' HA ' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -107.56 136.19 47.74 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.395 0.703 . . . . 0.0 109.298 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 32' ' ' TYR . 76.7 p -93.37 150.23 20.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 110.046 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.572 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -87.15 157.86 19.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.54 16.16 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.51 -15.2 15.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.6 45.31 4.65 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.57 1.169 . . . . 0.0 111.082 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.4 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 19.6 m-20 -117.82 165.3 13.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 109.277 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -106.44 102.32 1.89 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.414 1.071 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.488 ' CG ' ' O ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.97 -175.99 2.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.49 112.52 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -102.52 153.43 18.4 Favored Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.525 1.141 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.488 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 5.6 p -100.96 102.3 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.419 0.717 . . . . 0.0 109.338 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.51 85.91 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.492 1.12 . . . . 0.0 109.429 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.542 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -80.8 154.56 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.55 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 0.8 OUTLIER 156.3 -62.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.081 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.558 ' C ' ' CD1' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -140.71 149.26 41.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 110.895 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--N 1.328 -0.339 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 179.917 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 1.123 ' C8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.423 ' HA ' ' OG1' ' A' ' 6' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.697 ' N ' ' CD ' ' A' ' 3' ' ' PRO . . . -77.63 -41.14 2.22 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.348 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.697 ' CD ' ' N ' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -75.04 87.49 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.424 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 3.9 p 39.32 -150.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.456 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.425 ' HA ' ' HA2' ' A' ' 23' ' ' GLY . . . -70.79 129.54 39.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -137.76 141.4 40.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.451 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.561 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.3 t -77.11 120.82 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.337 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.716 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -33.07 -67.53 0.19 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.35 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.716 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.0 Cg_endo -75.04 -158.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.02 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.467 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -139.19 -45.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.412 1.07 . . . . 0.0 109.942 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.0 p -77.15 81.45 3.66 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.485 1.115 . . . . 0.0 110.034 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -73.02 1.06 42.46 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.551 ' CD2' ' O ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -66.59 62.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.618 0.834 . . . . 0.0 109.401 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -144.35 117.62 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.936 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 14' ' ' SER . 4.6 m-20 -35.49 94.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 59.5 67.3 2.23 Favored Glycine 0 CA--C 1.528 0.869 0 O-C-N 124.567 1.167 . . . . 0.0 111.055 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.489 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 2.2 m -70.01 109.83 4.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 0.728 . . . . 0.0 110.466 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.457 HG23 ' CG2' ' A' ' 68' ' ' THR . 1.6 t -84.84 112.6 22.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.587 1.179 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.473 ' CG2' HG11 ' A' ' 7' ' ' VAL . 30.1 m -138.94 -176.71 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.28 133.96 55.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.5 t -107.65 104.22 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 O-C-N 124.424 1.077 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -88.26 121.96 31.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 5' ' ' ALA . . . -102.1 127.52 9.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.572 1.17 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 2' ' ' ALA . . . -119.44 103.57 9.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 0.0 109.226 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.16 18.11 47.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.424 1.078 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.477 ' HG ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -76.56 -142.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.637 ' NE2' ' CE1' ' A' ' 32' ' ' TYR . 10.5 mm100 -54.48 87.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.599 1.187 . . . . 0.0 110.354 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -55.7 87.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 72.68 2.21 55.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.049 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.459 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.77 -176.27 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 110.418 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.474 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -139.45 122.48 16.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.637 ' CE1' ' NE2' ' A' ' 27' ' ' GLN . 2.6 m-30 -117.77 -171.08 1.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.532 ' HD2' ' CB ' ' A' ' 98' ' ' SER . 6.0 p-10 -111.6 110.54 20.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.226 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.452 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -80.2 139.11 18.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.572 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 178.49 158.69 21.62 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.467 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.78 97.08 9.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 0.728 . . . . 0.0 110.412 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.609 ' CB ' ' C5 ' ' A' ' 130' ' ' NCZ . 4.5 t -106.81 155.47 19.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 108.394 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 173.54 161.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -60.58 119.03 7.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.096 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.578 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -99.62 -44.57 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.463 ' CB ' ' HB ' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -83.5 -152.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.2 t -77.92 54.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.97 -9.16 50.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.626 1.204 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.463 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 64.7 t -69.97 112.48 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.484 ' CD1' ' H13' ' A' ' 130' ' ' NCZ . 1.6 tm? -60.17 112.89 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' CB ' ' HB ' ' A' ' 40' ' ' VAL . . . -126.39 137.3 53.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.567 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 15.7 m -105.35 152.24 23.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 108.274 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.522 ' ND2' ' N ' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -82.81 165.02 44.04 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.0 109.468 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.548 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.08 -9.43 20.66 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.499 1.789 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.49 14.83 26.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.797 ' HD2' ' H8 ' ' A' ' 130' ' ' NCZ . 0.0 OUTLIER -87.48 8.77 23.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.548 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -105.97 93.56 4.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.943 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.486 ' CB ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -146.84 84.16 1.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.934 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' SER . 84.1 p -36.28 141.94 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.11 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.48 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 9.3 p -147.91 159.74 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 124.65 1.219 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.474 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -147.4 137.1 22.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.471 ' HB2' ' CB ' ' A' ' 63' ' ' ALA . . . -106.45 141.14 38.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.57 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -62.33 158.96 16.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.06 -28.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.439 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.4 t-20 -88.23 35.08 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.96 38.64 2.56 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.464 1.102 . . . . 0.0 111.095 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.428 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -99.32 97.35 8.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 0.745 . . . . 0.0 110.038 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 57' ' ' ALA . . . -105.67 80.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.406 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.7 p -90.54 76.73 6.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.952 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.48 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -109.57 141.51 41.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.512 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.1 p -102.39 154.03 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.486 HD13 ' CB ' ' A' ' 53' ' ' SER . 0.7 OUTLIER -158.36 166.82 31.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.648 1.218 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.457 ' CG2' HG23 ' A' ' 18' ' ' VAL . 25.9 m -106.3 138.44 42.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.3 t -88.46 83.19 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.398 1.061 . . . . 0.0 109.378 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 72' ' ' SER . 29.2 mtt180 -88.96 66.75 7.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.454 ' NH2' ' HB3' ' A' ' 13' ' ' LEU . 16.3 ttm180 -35.94 -32.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.538 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 77.5 p -89.2 107.42 19.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.59 ' CZ ' ' HB2' ' A' ' 88' ' ' CYS . 0.2 OUTLIER -157.33 165.23 36.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.612 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 29.9 tt0 -96.46 87.53 4.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.73 160.96 1.36 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.583 1.177 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.612 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 61.0 m-85 -140.83 115.65 9.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 14.1 mt -57.64 135.64 56.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.394 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -56.62 -30.15 62.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.18 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -50.95 -22.64 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.199 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.84 -16.15 12.32 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.496 1.123 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 42.1 m -88.83 133.39 34.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 0.825 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.572 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -77.77 138.81 39.21 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.503 1.127 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.578 ' CD1' HG12 ' A' ' 40' ' ' VAL . 54.5 t-105 -105.73 -87.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 108.013 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.604 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 140.66 -104.63 0.4 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.557 1.161 . . . . 0.0 111.03 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.604 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 7.6 m 89.93 -52.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 110.437 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 72' ' ' SER . 92.9 t 69.64 -104.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 89' ' ' THR . 0.4 OUTLIER -58.76 90.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.386 1.054 . . . . 0.0 109.265 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 8.8 t -71.25 60.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' ASP . 12.6 t -99.49 -19.48 16.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.346 1.029 . . . . 0.0 110.405 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.7 m -88.99 -55.35 3.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.504 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.423 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.17 154.49 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.643 1.214 . . . . 0.0 109.246 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.73 123.0 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 124.2 35.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 108.312 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 25.5 mt-30 -100.26 117.44 34.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.467 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 20.5 t -89.14 110.21 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.617 1.198 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -160.58 171.33 36.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.477 ' CD1' ' HG ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -106.4 133.53 50.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.354 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.532 ' CB ' ' HD2' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -92.97 158.73 15.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.988 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.535 ' HA ' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -79.59 160.48 26.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.77 11.57 12.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.78 -59.11 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.401 1.063 . . . . 0.0 109.25 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.43 48.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.574 1.171 . . . . 0.0 111.036 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -149.51 157.53 43.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 0.793 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.427 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -140.81 62.62 0.54 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.0 Cg_endo -75.06 -16.8 19.88 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.465 ' O ' ' C18' ' A' ' 130' ' ' NCZ . 0.7 OUTLIER -89.06 140.93 28.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.584 1.177 . . . . 0.0 110.245 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 151.87 118.36 0.78 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 0.8 OUTLIER -105.39 119.63 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.37 93.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.559 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -97.89 149.22 5.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.1 t 154.48 -54.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -144.48 134.89 24.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.41 1.069 . . . . 0.0 109.359 179.931 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.797 ' H8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 24' ' ' ALA . . . -173.26 102.6 0.31 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 96.29 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.591 1.837 . . . . 0.0 111.075 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.518 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 2.5 p 42.36 -152.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.396 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.416 ' HA ' ' HA2' ' A' ' 23' ' ' GLY . . . -73.16 115.49 12.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.363 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -139.38 147.86 42.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.362 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.564 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.0 t -83.34 129.23 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.414 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.74 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -37.22 -69.16 0.2 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.343 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.74 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.6 Cg_endo -74.94 -161.55 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.464 1.77 . . . . 0.0 111.095 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -136.43 -49.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.0 p -64.05 76.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.615 1.197 . . . . 0.0 109.925 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' SER . . . -64.09 -8.3 28.89 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.535 ' CD1' ' O ' ' A' ' 111' ' ' SER . 0.7 OUTLIER -70.14 56.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 0.707 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.518 ' HB3' ' CB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -132.32 115.67 15.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' SER . 20.5 p-10 -36.13 96.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.379 1.049 . . . . 0.0 109.199 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 47.09 68.6 1.1 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.59 1.181 . . . . 0.0 110.979 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.518 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -77.26 125.11 28.81 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.351 0.677 . . . . 0.0 110.354 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -96.25 115.49 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.494 ' CG1' ' HG3' ' A' ' 9' ' ' PRO . 1.7 m -137.8 -172.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -110.64 135.57 51.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 63' ' ' ALA . 83.6 t -112.47 101.95 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -88.17 125.19 34.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.518 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -112.24 81.12 0.28 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.371 1.044 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' HB3' ' CB ' ' A' ' 2' ' ' ALA . . . -85.7 124.78 32.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.374 0.69 . . . . 0.0 109.296 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 82.63 18.4 66.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.572 1.17 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -88.24 -146.84 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 0.742 . . . . 0.0 109.336 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.683 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -68.25 84.47 0.25 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.405 1.066 . . . . 0.0 110.286 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.478 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . -67.44 98.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.01 -16.4 59.46 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.42 1.075 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.566 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -92.09 -178.84 5.1 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.573 0.807 . . . . 0.0 110.437 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.499 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -157.15 156.45 32.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.683 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -152.35 -165.22 2.15 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.566 1.166 . . . . 0.0 111.034 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -104.77 112.21 25.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.495 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.8 OUTLIER -78.74 136.74 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.647 1.217 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.592 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 179.3 154.94 13.81 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.494 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.26 101.0 12.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 0.727 . . . . 0.0 110.389 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.646 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 4.7 t -107.03 155.12 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 177.13 163.65 0.5 Allowed 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.59 1.181 . . . . 0.0 109.233 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.514 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 28.6 p90 -63.57 109.65 1.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 108.012 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.484 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -99.87 -34.25 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.229 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.568 ' OD1' ' CD2' ' A' ' 83' ' ' TRP . 1.7 t70 -89.47 -155.15 0.34 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.505 ' O ' ' CG2' ' A' ' 42' ' ' THR . 6.3 t -80.7 53.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.358 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.76 4.13 42.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.39 1.057 . . . . 0.0 111.092 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 5.8 t -89.35 116.62 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.405 0.709 . . . . 0.0 109.437 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.479 ' CD2' H172 ' A' ' 130' ' ' NCZ . 0.8 OUTLIER -63.6 100.02 0.25 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.499 1.124 . . . . 0.0 109.232 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.461 ' CB ' ' HB ' ' A' ' 40' ' ' VAL . . . -109.82 137.94 46.9 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.581 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 5.9 m -101.88 153.16 20.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 108.332 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.631 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -81.23 169.91 17.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.234 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.525 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.0 Cg_endo -74.92 -11.46 21.64 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.417 1.746 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.48 17.56 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 1.029 ' HD2' ' C8 ' ' A' ' 130' ' ' NCZ . 0.4 OUTLIER -87.43 5.14 40.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.398 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.525 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -107.48 93.11 4.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.153 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -150.12 84.88 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' SER . 23.8 p -38.21 133.67 0.91 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.622 1.202 . . . . 0.0 109.937 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.495 ' CG2' ' HB ' ' A' ' 34' ' ' VAL . 2.5 t -140.59 159.38 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.375 1.047 . . . . 0.0 109.284 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.499 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -145.13 148.22 33.37 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.43 1.081 . . . . 0.0 110.394 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -107.44 138.04 44.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -65.05 155.13 35.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.645 1.216 . . . . 0.0 109.333 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.4 ' O ' ' HB1' ' A' ' 28' ' ' ALA . . . -42.56 -27.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.395 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.448 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.3 t-20 -88.17 32.82 0.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.383 1.052 . . . . 0.0 109.203 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.36 43.74 3.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.591 1.182 . . . . 0.0 111.037 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 58.0 m -119.0 105.19 11.19 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.482 0.754 . . . . 0.0 109.983 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -106.43 85.58 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 9.2 m -93.72 75.09 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.042 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.473 ' CG2' HG13 ' A' ' 55' ' ' VAL . 68.5 p -110.45 136.71 49.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.352 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 80.2 p -90.83 139.75 30.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.382 1.051 . . . . 0.0 110.026 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.472 ' HG ' ' CG1' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -142.67 166.97 23.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.159 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.3 m -106.22 132.55 52.15 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.554 1.159 . . . . 0.0 110.356 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.467 ' CG2' HG21 ' A' ' 17' ' ' THR . 45.5 t -89.44 85.18 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.569 1.168 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.697 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 9.6 mtt180 -86.61 60.78 6.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 39.0 ttp180 -36.36 -32.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.633 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 96.7 p -102.17 125.37 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.194 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.697 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 178.9 177.54 0.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.341 1.025 . . . . 0.0 110.897 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.434 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -93.09 105.87 17.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.383 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.77 167.17 38.49 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.548 1.155 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.541 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -142.16 117.24 10.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 0.798 . . . . 0.0 111.004 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.481 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 24.7 mt -58.72 131.0 49.58 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.5 -28.28 8.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -50.37 -53.17 31.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.5 -20.6 0.72 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.5 m -89.27 145.51 25.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.454 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -83.3 140.52 32.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.235 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.568 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 77.1 t-105 -105.82 -91.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 107.91 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.563 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 155.13 -101.3 0.2 Allowed Glycine 0 CA--C 1.532 1.133 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.563 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 17.0 m 88.43 -52.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 0.816 . . . . 0.0 110.442 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.633 ' O ' ' HA ' ' A' ' 72' ' ' SER . 99.4 t 67.9 -107.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.438 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -62.49 102.57 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.234 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 42.3 t -82.56 53.31 2.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.544 1.153 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.9 t -96.03 -22.68 17.21 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.509 1.13 . . . . 0.0 110.384 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 m -89.28 -54.17 4.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.406 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -85.72 140.18 30.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.21 119.15 22.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.43 1.081 . . . . 0.0 109.191 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.89 124.55 35.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 108.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 75.8 mt-30 -98.69 113.59 25.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.494 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 6.4 t -87.8 106.44 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -155.08 179.8 30.83 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.455 1.097 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.632 ' HG ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -106.1 143.96 33.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.767 . . . . 0.0 109.194 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' ' 32' ' ' TYR . 1.4 p -87.7 138.01 31.84 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.515 1.135 . . . . 0.0 109.957 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.72 ' HD2' ' HD2' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -75.98 159.67 30.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.216 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.99 6.73 27.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.603 1.189 . . . . 0.0 109.294 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.38 -32.1 15.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.392 1.057 . . . . 0.0 109.321 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 118.35 39.24 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.418 1.073 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -149.59 154.69 39.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.677 0.869 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.411 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -132.87 63.09 0.63 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.418 1.074 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.72 ' HD2' ' HD2' ' A' ' 99' ' ' ASP . 18.2 Cg_endo -75.09 -22.55 14.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.958 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -84.59 142.65 29.81 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.525 1.141 . . . . 0.0 110.256 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 145.62 136.42 2.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.609 1.193 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -105.5 122.15 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.368 0.687 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.67 94.28 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.492 1.12 . . . . 0.0 109.197 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.578 ' O ' ' CB ' ' A' ' 111' ' ' SER . 2.7 tp -91.01 156.39 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.578 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER 152.8 -61.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -137.29 142.16 41.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 52.9 t30 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 1.029 ' C8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 24' ' ' ALA . . . -163.64 99.93 0.96 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 90.48 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.648 1.867 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.479 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.1 p 54.61 -159.63 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 110.353 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.488 ' CB ' HD21 ' A' ' 97' ' ' LEU . . . -60.67 128.94 39.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 109.368 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -150.39 146.27 26.6 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.517 1.135 . . . . 0.0 110.476 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.573 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.0 t -74.5 123.08 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.727 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -32.52 -68.82 0.14 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.355 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.727 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.05 -159.56 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.584 1.834 . . . . 0.0 111.038 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.7 m -136.93 -49.04 0.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 110.028 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.434 ' HA ' ' HB3' ' A' ' 111' ' ' SER . 43.5 p -70.77 57.74 0.2 Allowed 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.425 1.078 . . . . 0.0 109.991 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.67 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -57.22 -13.62 10.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.373 1.046 . . . . 0.0 111.013 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.421 ' HB3' ' C ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -54.77 74.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.805 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.67 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -151.06 123.69 8.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.142 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 14' ' ' SER . 20.1 p-10 -36.45 93.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 52.69 67.25 2.18 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.486 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.5 OUTLIER -74.53 128.99 36.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 110.497 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.69 118.38 38.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.226 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.422 ' CG1' ' CG ' ' A' ' 9' ' ' PRO . 1.4 m -142.7 -176.62 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -118.33 127.87 54.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.597 1.185 . . . . 0.0 109.243 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' A' ' 5' ' ' ALA . 2.7 t -99.0 96.85 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.216 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.13 135.23 33.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.479 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -117.53 120.23 4.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.445 ' HB3' ' CB ' ' A' ' 2' ' ' ALA . . . -102.36 96.73 7.14 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.501 0.765 . . . . 0.0 109.357 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.25 21.05 12.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -82.49 -141.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 0.722 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.661 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 18.9 mm-40 -51.65 89.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.75 84.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 78.12 4.69 86.61 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.509 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.2 -175.11 4.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.534 0.785 . . . . 0.0 110.408 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.531 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -139.07 114.36 9.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.661 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.3 m-30 -117.75 165.37 13.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 33.0 m-20 -91.3 127.59 36.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.684 1.24 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.505 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -100.44 137.32 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.623 1.202 . . . . 0.0 109.316 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.565 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 172.99 125.26 0.82 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.388 1.055 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.485 ' NE2' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -56.0 99.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.506 0.768 . . . . 0.0 110.213 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 3.4 t -106.67 157.86 17.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.598 1.186 . . . . 0.0 108.345 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.458 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 178.97 166.2 0.92 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 109.384 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.51 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 40.2 p90 -72.38 111.66 7.77 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.582 HG11 ' CD1' ' A' ' 83' ' ' TRP . 0.7 OUTLIER -98.16 -46.74 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.6 ' OD2' ' CH2' ' A' ' 83' ' ' TRP . 2.4 t0 -85.14 -160.72 0.52 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -67.05 80.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.62 1.2 . . . . 0.0 110.365 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.78 21.35 71.13 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.452 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 15.0 t -97.67 111.0 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.466 ' CD2' H172 ' A' ' 130' ' ' NCZ . 0.2 OUTLIER -63.06 96.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.49 ' CB ' HG13 ' A' ' 40' ' ' VAL . . . -107.89 139.9 41.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.384 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.598 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 57.0 m -97.43 155.41 16.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 108.413 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.522 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 1.3 m-80 -79.68 168.2 28.17 Favored Pre-proline 0 C--N 1.323 -0.564 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.613 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -74.99 -16.73 20.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.32 15.15 26.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.571 1.17 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.647 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.75 17.09 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.389 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -105.17 87.06 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.598 1.186 . . . . 0.0 110.912 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.413 ' CB ' ' HG ' ' A' ' 67' ' ' LEU . 1.1 t -148.02 84.36 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -57.61 146.9 28.86 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.523 1.139 . . . . 0.0 109.951 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.453 HG22 ' CB ' ' A' ' 65' ' ' THR . 7.4 p -159.39 151.91 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.531 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -121.02 149.69 42.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.493 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.507 ' HB3' ' CB ' ' A' ' 63' ' ' ALA . . . -106.06 145.57 31.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.266 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.577 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -69.62 159.21 33.83 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.415 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.9 -28.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.448 1.092 . . . . 0.0 109.239 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.436 ' N ' ' C ' ' A' ' 58' ' ' ASP . 21.5 t30 -88.7 34.58 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.385 1.053 . . . . 0.0 109.268 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.72 40.65 4.02 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.505 1.128 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.7 OUTLIER -101.94 96.5 7.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 0.773 . . . . 0.0 109.985 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.507 ' CB ' ' HB3' ' A' ' 57' ' ' ALA . . . -104.03 97.75 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.9 m -101.72 93.95 5.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.889 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.463 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 7.4 t -106.05 162.36 13.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.443 ' O ' HD22 ' A' ' 67' ' ' LEU . 53.3 p -137.9 121.77 17.68 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.577 1.173 . . . . 0.0 109.955 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.443 HD22 ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -151.23 176.44 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.631 1.207 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.428 ' H ' ' CD1' ' A' ' 67' ' ' LEU . 6.2 t -105.24 137.28 43.27 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.431 1.082 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.22 84.71 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -90.14 71.47 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.421 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.528 ' NH1' ' HD2' ' A' ' 87' ' ' ASP . 19.3 ttp180 -43.4 -35.43 1.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 88.6 p -94.96 122.6 37.78 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.341 1.026 . . . . 0.0 109.985 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.522 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 169.88 167.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 110.942 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.523 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 7.6 tt0 -80.68 113.45 18.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.223 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.83 173.59 54.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CE1' ' OE1' ' A' ' 74' ' ' GLU . 7.4 m-85 -135.53 119.06 16.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.771 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 41' ' ' ASP . 59.4 mt -42.85 164.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.335 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' A' ' 79' ' ' ASP . 1.0 OUTLIER -75.61 -31.96 60.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.567 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 7.3 t0 -61.4 -56.57 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.49 -27.04 0.22 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 111.03 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.3 m -69.01 136.67 52.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 0.728 . . . . 0.0 110.459 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.408 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 27.2 ptt180 -75.57 137.14 40.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.6 ' CH2' ' OD2' ' A' ' 41' ' ' ASP . 76.9 t-105 -101.7 -88.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.54 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 141.12 -89.38 0.18 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.442 1.089 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.544 ' O ' ' HB ' ' A' ' 86' ' ' VAL . 3.2 m 70.5 -56.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.429 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.544 ' HB ' ' O ' ' A' ' 85' ' ' THR . 24.4 t 80.86 -101.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.214 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.528 ' HD2' ' NH1' ' A' ' 71' ' ' ARG . 2.0 t70 -64.95 99.4 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 9.9 t -82.89 61.63 6.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.389 1.056 . . . . 0.0 108.321 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.469 ' HA ' ' CD1' ' A' ' 112' ' ' PHE . 1.2 m -102.04 -13.01 17.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.366 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 m -88.06 -57.66 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -90.34 130.34 36.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.586 1.179 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' HA ' ' CE2' ' A' ' 112' ' ' PHE . . . -65.87 117.61 8.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.458 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -91.04 123.21 34.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.445 ' HB2' ' C ' ' A' ' 107' ' ' GLY . 13.7 pt20 -106.07 126.6 52.39 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 110.409 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.471 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -96.99 124.15 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.229 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.502 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . -173.13 178.48 45.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.505 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.24 121.59 44.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.363 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.7 p -103.69 164.86 11.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.041 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.605 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -62.28 162.18 10.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.5 -1.06 57.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.77 -24.63 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.426 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.417 ' O ' ' O6 ' ' A' ' 130' ' ' NCZ . . . 106.28 41.93 1.7 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 9.3 m-80 -150.81 165.97 31.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 0.729 . . . . 0.0 109.22 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.2 91.15 2.2 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.396 1.06 . . . . 0.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.499 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.1 Cg_endo -74.98 45.27 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.84 130.26 37.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.391 1.057 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.445 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . 178.03 154.58 12.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.12 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.9 p -106.26 119.06 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.73 93.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.489 ' CG1' ' HA3' ' A' ' 12' ' ' GLY . 10.7 tp -69.86 136.3 26.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.226 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.434 ' HB3' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -70.7 61.11 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.895 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 89' ' ' THR . 42.0 p90 -50.21 156.62 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.447 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 1.3 m-20 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.143 . . . . 0.0 109.27 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.598 ' C10' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.512 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . 165.73 -56.74 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 2' ' ' ALA . 18.6 Cg_endo -75.03 106.56 2.3 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.434 1.755 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.508 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.3 p 46.74 -174.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.403 ' HA ' ' CA ' ' A' ' 23' ' ' GLY . . . -52.11 114.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.385 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -146.97 138.06 23.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.456 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.574 ' O ' ' O ' ' A' ' 8' ' ' THR . 9.1 p -109.68 110.35 31.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.574 ' O ' ' O ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER 48.87 167.77 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.455 1.097 . . . . 0.0 110.47 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.482 ' HD2' ' OG1' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.01 -44.57 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.389 1.731 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 11' ' ' SER . 14.4 p -94.34 -75.16 0.52 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.117 . . . . 0.0 109.849 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.518 ' N ' ' CG2' ' A' ' 8' ' ' THR . 0.6 OUTLIER 57.59 152.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 110.006 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.477 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . 82.12 -40.4 2.68 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.445 1.091 . . . . 0.0 111.067 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 12' ' ' GLY . 10.4 mt -35.17 -36.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.454 0.738 . . . . 0.0 109.286 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -126.38 123.32 37.69 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.552 1.157 . . . . 0.0 109.993 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.84 71.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.233 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 138.34 35.86 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.435 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 5.9 m -85.53 110.68 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 110.488 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 16.9 t -75.47 121.42 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.474 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -146.53 -170.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -114.25 136.39 53.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 109.372 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 6' ' ' THR . 2.3 t -108.47 79.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.96 135.95 33.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.574 1.172 . . . . 0.0 109.303 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.508 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -134.41 97.7 0.3 Allowed Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.01 125.15 47.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.612 0.83 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.09 18.26 29.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 111.055 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.412 ' CD1' ' H ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.49 -142.23 0.16 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.403 0.708 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.442 ' HB3' ' CB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -73.03 82.27 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.46 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . . . -65.91 117.36 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.49 -20.34 47.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.442 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.31 179.56 5.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.767 . . . . 0.0 110.338 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 56' ' ' THR . . . -145.31 153.36 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.708 ' CD1' ' CB ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -150.03 -169.01 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.986 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.438 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.7 OUTLIER -124.5 119.63 29.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.503 ' CG1' ' CB ' ' A' ' 53' ' ' SER . 1.0 OUTLIER -73.49 121.83 25.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' CA ' ' OD1' ' A' ' 51' ' ' ASP . . . -163.75 119.13 0.85 Allowed Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.418 1.074 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.628 ' NE2' ' HB2' ' A' ' 51' ' ' ASP . 2.7 mt-30 -54.18 87.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 110.189 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.652 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -94.2 145.04 24.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.575 1.172 . . . . 0.0 108.184 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 37' ' ' CYS . . . 166.73 165.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.552 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 15.4 m0 -64.47 89.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.616 1.198 . . . . 0.0 107.996 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.518 ' CG1' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -85.94 -39.68 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.558 ' OD1' ' CD2' ' A' ' 83' ' ' TRP . 7.6 t0 -88.68 -154.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -76.6 73.29 3.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.629 1.205 . . . . 0.0 110.437 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.2 21.3 76.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.434 1.084 . . . . 0.0 111.018 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.413 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 3.2 t -104.9 110.57 31.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.524 0.779 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.552 ' HB2' ' CD1' ' A' ' 39' ' ' TRP . 5.0 tt -65.75 83.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.382 1.051 . . . . 0.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.518 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -93.22 144.8 24.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.237 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.652 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 65.5 m -96.34 156.03 16.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.437 1.086 . . . . 0.0 108.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.479 ' CB ' HE21 ' A' ' 36' ' ' GLN . 7.9 m-80 -93.06 112.4 55.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.435 ' HD2' ' O ' ' A' ' 74' ' ' GLU . 18.2 Cg_endo -75.02 7.54 2.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.538 1.81 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.574 ' HB1' ' CD1' ' A' ' 73' ' ' PHE . . . -105.24 -8.17 18.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.628 ' HB2' ' NE2' ' A' ' 36' ' ' GLN . 11.8 t0 -110.4 -12.39 14.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.382 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -45.42 111.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.503 ' CB ' ' CG1' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -152.62 93.71 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 5.2 p -56.56 129.19 39.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.481 ' CG1' ' N ' ' A' ' 56' ' ' THR . 2.1 t -155.47 162.74 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.233 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.481 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 1.1 t -120.35 167.12 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.13 126.53 52.33 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.362 1.038 . . . . 0.0 109.243 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.671 ' O ' ' N ' ' A' ' 61' ' ' GLY . 2.5 m-20 -53.58 161.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.67 -41.36 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -88.51 37.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.201 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.671 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.76 49.14 4.1 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.457 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 75.5 m -110.99 103.41 11.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.801 . . . . 0.0 109.891 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.2 102.08 11.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.369 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.0 p -100.3 84.58 2.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.489 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 8.0 t -109.52 115.82 30.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.573 1.171 . . . . 0.0 110.423 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.3 p -88.42 137.33 32.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.046 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.429 ' CD1' ' O ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -162.56 175.64 11.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 13.7 t -105.61 134.88 48.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.436 HG11 ' N ' ' A' ' 12' ' ' GLY . 21.7 t -89.07 86.49 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.421 1.075 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' SER . 17.3 mtt-85 -90.61 69.89 6.74 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.517 1.136 . . . . 0.0 110.23 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 1.3 ttm180 -38.72 -29.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 53.8 m -98.35 110.78 23.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.322 1.014 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -177.58 163.36 1.92 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.592 1.182 . . . . 0.0 111.023 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.531 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 5.0 tt0 -75.31 125.7 29.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.57 171.35 33.31 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -135.98 117.41 14.73 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.533 0.784 . . . . 0.0 111.064 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.583 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 36.0 mt -58.05 133.59 55.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -50.34 -30.33 11.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.17 -51.38 32.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.12 -18.17 1.19 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -89.32 145.22 25.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 110.414 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -83.77 138.24 33.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.558 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 24.7 t-105 -105.46 -89.36 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.123 . . . . 0.0 107.995 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.558 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 147.65 -97.53 0.18 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.462 1.102 . . . . 0.0 110.989 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.558 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 32.7 m 80.27 -53.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 0.804 . . . . 0.0 110.433 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 72' ' ' SER . 61.9 t 70.87 -104.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.413 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -59.26 94.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 25.1 t -85.31 50.23 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 108.217 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.7 t -90.57 -17.93 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.1 t -87.95 -50.64 6.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.355 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.58 144.5 25.71 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.87 114.07 18.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.374 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.93 122.5 32.36 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.625 1.203 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 23.7 mt-30 -97.89 113.26 25.03 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.521 ' CG2' ' HG2' ' A' ' 36' ' ' GLN . 2.0 t -90.53 120.07 38.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.62 1.2 . . . . 0.0 109.377 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.507 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . -172.34 173.48 45.31 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.708 ' CB ' ' CD1' ' A' ' 32' ' ' TYR . 2.7 mp -104.86 125.73 51.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 0.723 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.529 ' HB3' ' C5 ' ' A' ' 130' ' ' NCZ . 9.1 p -105.2 155.43 19.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -58.96 162.12 4.45 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.83 2.16 35.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.634 1.209 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.87 -10.04 38.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.61 40.89 9.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -149.48 157.06 42.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.411 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.13 107.0 3.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 0.0 111.07 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 54.64 3.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.457 ' O ' ' C18' ' A' ' 130' ' ' NCZ . 1.0 OUTLIER -90.44 115.22 27.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 110.282 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.91 138.16 2.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.568 1.167 . . . . 0.0 111.054 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.461 HG11 ' CD1' ' A' ' 110' ' ' ILE . 6.5 p -105.6 128.85 59.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.228 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.01 92.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.539 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.9 OUTLIER -86.34 170.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.4 OUTLIER 155.92 -62.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.95 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -153.26 147.96 26.28 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 111.056 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.0 t30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.252 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.546 ' C5 ' ' HB2' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 1' ' ' ALA . . . 83.96 136.85 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.506 1.128 . . . . 0.0 109.268 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.421 ' C ' ' CG2' ' A' ' 4' ' ' THR . 18.2 Cg_endo -75.01 160.71 39.82 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.402 1.738 . . . . 0.0 111.068 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.505 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 0.6 OUTLIER 58.61 172.1 0.06 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.478 ' N ' ' HA3' ' A' ' 23' ' ' GLY . . . -50.24 121.19 5.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.445 ' CB ' HG22 ' A' ' 108' ' ' VAL . 1.1 p -144.44 147.89 33.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.521 HG12 ' CG2' ' A' ' 19' ' ' VAL . 3.3 t -75.76 106.77 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.618 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.89 -63.0 0.44 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.94 -160.19 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.608 1.846 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 11' ' ' SER . 40.6 m -90.6 -53.11 4.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.574 1.172 . . . . 0.0 109.852 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.527 ' O ' ' CB ' ' A' ' 111' ' ' SER . 4.8 p 50.95 174.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.601 1.188 . . . . 0.0 110.064 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.439 ' HA3' ' C ' ' A' ' 111' ' ' SER . . . 100.81 -53.32 0.89 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.531 ' CD1' ' O ' ' A' ' 111' ' ' SER . 1.6 mp -73.59 -8.95 58.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 0.793 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.514 ' HB3' ' OG1' ' A' ' 17' ' ' THR . 47.4 t -128.96 89.4 2.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.74 107.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 115.69 19.05 5.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.431 1.082 . . . . 0.0 111.056 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.514 ' OG1' ' HB3' ' A' ' 14' ' ' SER . 29.1 m -90.12 118.69 29.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 0.799 . . . . 0.0 110.514 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -76.37 119.87 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.521 ' CG2' HG12 ' A' ' 7' ' ' VAL . 1.0 OUTLIER -127.13 174.46 10.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -113.53 114.65 26.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.472 ' CG1' ' HB1' ' A' ' 5' ' ' ALA . 19.6 t -88.28 90.66 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.433 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -98.91 127.04 44.73 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.505 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -131.77 106.14 0.65 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.03 108.7 19.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 83.06 37.88 12.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.156 . . . . 0.0 111.063 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.459 HD13 ' CB ' ' A' ' 5' ' ' ALA . 0.8 OUTLIER -75.37 -92.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.779 . . . . 0.0 109.371 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.581 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 17.7 mm100 -91.79 19.1 6.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.199 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 76.25 -11.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.37 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.538 ' HA2' ' CB ' ' A' ' 57' ' ' ALA . . . 126.32 2.04 7.09 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 27' ' ' GLN . 2.7 m -57.92 -155.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.529 0.782 . . . . 0.0 110.48 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.558 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -134.21 111.76 10.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.581 ' CD1' ' HG3' ' A' ' 27' ' ' GLN . 2.6 m-85 -123.28 168.31 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.459 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -91.13 115.84 28.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.24 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.474 HG11 ' CB ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -79.4 141.73 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.411 1.069 . . . . 0.0 109.403 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.587 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 168.82 155.88 10.05 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.45 1.094 . . . . 0.0 110.954 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.461 ' NE2' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -94.29 98.28 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 0.801 . . . . 0.0 110.342 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.614 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 7.3 t -106.74 154.75 20.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 108.236 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.417 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -178.24 168.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.603 1.189 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.513 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 68.9 p-90 -75.44 104.63 6.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 107.921 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.594 HG11 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -93.64 -49.41 12.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.429 1.081 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.507 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -86.22 -173.9 4.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.374 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -52.41 88.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.421 1.076 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 55.65 21.75 29.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.469 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 59.4 t -97.12 117.72 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.397 0.704 . . . . 0.0 109.3 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.99 99.37 1.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.483 ' CB ' HG13 ' A' ' 40' ' ' VAL . . . -111.68 138.39 48.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.533 1.146 . . . . 0.0 109.374 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.622 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 3.7 m -105.38 152.22 23.23 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.609 1.193 . . . . 0.0 108.322 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.554 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -77.95 170.87 14.26 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.563 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.06 -11.73 21.38 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.552 1.817 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.36 16.66 23.71 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.801 ' HD2' ' C7 ' ' A' ' 130' ' ' NCZ . 1.7 t70 -89.18 6.84 38.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.453 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.563 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -107.71 93.67 4.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.999 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.474 ' CB ' HG11 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -150.5 78.69 1.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.065 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 97.5 p -44.58 139.33 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.467 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 2.7 p -160.18 164.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.422 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.558 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -135.56 154.51 51.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.375 1.047 . . . . 0.0 110.381 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.538 ' CB ' ' HA2' ' A' ' 29' ' ' GLY . . . -100.16 144.93 28.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.613 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -58.11 160.92 4.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.333 1.02 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.49 -36.84 0.41 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -87.81 37.12 0.78 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.613 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.7 40.92 4.12 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.428 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 7.7 m -103.96 96.4 6.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.432 ' CB ' ' HB1' ' A' ' 57' ' ' ALA . . . -100.0 95.7 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 1.5 m -106.87 76.63 1.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.377 1.048 . . . . 0.0 110.011 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.467 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 7.0 t -107.86 132.42 53.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.7 p -93.71 133.69 36.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.09 164.27 30.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 t -89.41 125.49 35.17 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.456 1.097 . . . . 0.0 110.444 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.486 ' CG2' HD13 ' A' ' 110' ' ' ILE . 2.7 t -88.93 92.04 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.702 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 2.0 mtt180 -107.42 80.56 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.758 ' NH1' ' HD2' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -41.94 -40.94 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.334 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -81.48 142.92 32.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 0.0 110.036 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.702 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER 163.33 -179.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -94.3 103.72 15.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.57 153.0 52.78 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.488 1.117 . . . . 0.0 111.126 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -139.03 124.13 18.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 0.768 . . . . 0.0 110.963 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.417 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 7.9 mt -62.76 153.86 31.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.487 ' CE1' ' O6 ' ' A' ' 130' ' ' NCZ . 6.2 t80 -82.66 -25.67 32.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -59.89 -48.47 81.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.394 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.08 -27.54 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 1.1 m -80.18 164.56 23.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.638 0.846 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -116.94 147.88 41.87 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.351 1.032 . . . . 0.0 110.369 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.595 ' CD1' ' OG1' ' A' ' 85' ' ' THR . 49.2 t-105 -104.55 -86.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.086 . . . . 0.0 108.105 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.48 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 127.38 -79.27 0.37 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.604 1.19 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.687 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 3.3 m 68.54 -57.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.388 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.687 ' CG2' ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 83.84 -23.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.758 ' HD2' ' NH1' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -143.63 104.62 4.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.178 . . . . 0.0 109.315 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 4.1 t -90.64 64.99 5.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 108.392 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.446 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -105.39 -12.68 15.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.413 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.0 m -88.83 -60.02 2.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.434 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.03 104.33 16.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -39.72 126.14 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.621 1.2 . . . . 0.0 109.334 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.417 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -89.73 126.94 35.85 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.575 1.172 . . . . 0.0 108.359 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 23.9 mt-30 -92.38 110.62 22.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.363 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 2.5 t -88.61 108.1 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.475 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -167.82 178.25 41.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.427 1.079 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 1.6 pp -107.31 128.14 54.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 0.707 . . . . 0.0 109.17 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.566 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 26.0 t -93.22 168.87 10.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 0.0 109.933 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -85.26 158.13 20.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.404 1.065 . . . . 0.0 109.4 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.77 9.23 25.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.3 -49.69 3.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 123.04 50.23 0.22 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 105' ' ' PRO . 74.4 m-20 -111.08 146.62 36.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.584 0.814 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -31.89 93.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.563 ' HG2' ' C1 ' ' A' ' 130' ' ' NCZ . 18.3 Cg_endo -74.98 127.42 10.68 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 124.61 1.847 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.69 144.64 25.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.381 1.051 . . . . 0.0 110.247 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -143.77 169.88 25.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.618 1.199 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.445 HG22 ' CB ' ' A' ' 6' ' ' THR . 5.3 p -99.22 143.95 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.595 0.82 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.03 99.33 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.486 HD13 ' CG2' ' A' ' 69' ' ' VAL . 1.7 tt -66.68 136.09 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.531 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.48 57.51 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.386 1.054 . . . . 0.0 110.096 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.412 ' HA ' ' CA ' ' A' ' 12' ' ' GLY . 46.0 p90 -49.91 162.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.05 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.422 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 2.2 t-20 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.656 1.223 . . . . 0.0 109.359 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.801 ' C7 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.496 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . 176.41 -56.13 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 2' ' ' ALA . 18.5 Cg_endo -74.95 67.07 5.95 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.442 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.3 p 55.35 -178.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.456 ' N ' ' HA3' ' A' ' 23' ' ' GLY . . . -59.04 119.6 7.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.379 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.407 ' HA ' ' HB ' ' A' ' 108' ' ' VAL . 0.9 OUTLIER -140.47 147.59 39.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.628 1.205 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.495 HG11 ' CG2' ' A' ' 19' ' ' VAL . 5.1 t -74.77 108.21 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.581 1.176 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.62 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -38.93 -62.73 0.7 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.449 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.62 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.98 -156.65 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.602 1.843 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.4 m -92.4 -46.33 7.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 0.0 109.988 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.486 ' HB2' ' CB ' ' A' ' 69' ' ' VAL . 6.6 p 57.09 -179.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.011 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' C ' ' HA ' ' A' ' 112' ' ' PHE . . . 77.63 -48.7 2.96 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.434 ' HA ' ' CA ' ' A' ' 113' ' ' ASN . 0.8 OUTLIER -63.02 -18.68 63.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 109.386 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -124.26 98.83 5.94 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.552 1.157 . . . . 0.0 110.115 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -61.3 79.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.529 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 127.24 36.58 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.445 ' CG2' ' CG1' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -92.29 131.72 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 0.729 . . . . 0.0 110.448 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -82.8 117.97 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.507 ' HB ' ' CD ' ' A' ' 9' ' ' PRO . 1.2 m -132.79 174.4 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 0.0 109.244 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -116.75 125.55 51.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.586 1.179 . . . . 0.0 109.175 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.5 t -97.3 84.9 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.444 1.09 . . . . 0.0 109.157 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.31 127.01 41.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.456 ' HA3' ' N ' ' A' ' 5' ' ' ALA . . . -135.05 121.7 2.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.447 1.092 . . . . 0.0 111.069 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.453 ' CB ' ' HA ' ' A' ' 2' ' ' ALA . . . -106.08 121.2 43.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.266 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 101.93 0.82 51.92 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.394 1.059 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.503 HD21 ' CG ' ' A' ' 97' ' ' LEU . 6.2 tp -76.2 -136.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.385 0.697 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.614 ' OE1' ' CE1' ' A' ' 32' ' ' TYR . 38.5 mm-40 -55.18 86.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.098 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.25 93.29 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' ALA . . . 67.8 7.02 47.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.434 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.9 -176.54 4.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 0.725 . . . . 0.0 110.434 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.461 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -139.25 119.47 13.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.662 1.226 . . . . 0.0 109.15 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.614 ' CE1' ' OE1' ' A' ' 27' ' ' GLN . 2.3 m-30 -118.55 175.99 5.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.554 1.159 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.432 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 75.7 m-20 -98.31 113.1 24.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.525 HG12 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -82.02 137.56 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.542 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 172.63 156.38 12.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.427 1.079 . . . . 0.0 110.969 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -93.8 102.14 14.27 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.491 0.759 . . . . 0.0 110.395 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.489 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 3.5 t -106.69 148.89 27.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 108.286 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -178.93 167.84 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 45' ' ' LEU . 15.1 p-90 -68.87 111.29 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 108.028 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.564 HG11 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -95.61 -45.75 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.598 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 1.4 t0 -92.29 -155.36 0.42 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.608 ' O ' ' CG2' ' A' ' 42' ' ' THR . 1.6 t -77.55 98.86 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.0 21.51 31.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.3 t -105.97 115.62 48.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.541 0.789 . . . . 0.0 109.432 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.479 HD23 ' C14' ' A' ' 130' ' ' NCZ . 0.2 OUTLIER -69.95 104.12 2.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.473 ' CB ' ' HB ' ' A' ' 40' ' ' VAL . . . -112.52 135.69 52.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.589 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 59.0 m -96.73 155.58 16.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.648 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 2.3 m120 -80.31 160.43 67.89 Favored Pre-proline 0 C--N 1.323 -0.587 0 O-C-N 124.499 1.124 . . . . 0.0 109.377 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.611 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.93 -13.36 21.59 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.55 1.816 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.42 14.02 26.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.567 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.19 13.21 11.86 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 109.367 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.611 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 4.1 m-85 -105.51 88.74 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.525 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -148.95 83.67 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.393 1.058 . . . . 0.0 110.041 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.7 p -50.9 136.56 22.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 m -142.13 168.55 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.394 1.059 . . . . 0.0 109.236 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.461 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -139.76 141.25 36.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.487 ' HB1' ' CB ' ' A' ' 63' ' ' ALA . . . -105.94 131.03 53.74 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -48.25 158.76 0.24 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.592 1.182 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.98 -29.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 58' ' ' ASP . 50.7 t30 -88.64 34.37 0.76 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.553 1.158 . . . . 0.0 109.227 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.96 42.5 6.52 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.56 1.162 . . . . 0.0 110.955 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -104.34 96.8 6.87 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 0.781 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.487 ' CB ' ' HB1' ' A' ' 57' ' ' ALA . . . -105.27 99.71 9.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 p -106.75 81.15 1.53 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.573 1.17 . . . . 0.0 110.101 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.467 HG23 ' CG2' ' A' ' 34' ' ' VAL . 3.9 t -107.49 121.04 43.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.464 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.8 p -94.65 134.58 37.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.36 179.19 8.13 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.4 t -103.82 128.87 51.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.51 ' CG1' ' CD1' ' A' ' 110' ' ' ILE . 66.0 t -88.54 89.95 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.384 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.645 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 3.1 mtt85 -94.42 73.77 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 21.3 ttp180 -34.22 -37.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 1.4 p -90.27 124.13 34.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.191 . . . . 0.0 109.968 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.648 ' CE2' ' OD1' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -171.47 168.28 6.5 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.486 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 23.3 tt0 -93.15 94.74 8.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.172 . . . . 0.0 110.245 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.58 158.26 32.42 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 3.5 m-85 -133.73 121.98 22.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.391 0.7 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 12.9 mt -51.74 146.65 7.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -67.45 -30.41 70.13 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.487 1.117 . . . . 0.0 110.932 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -55.9 -55.79 28.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.54 -26.82 0.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.417 1.073 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.7 m -76.75 144.44 39.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.417 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.508 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 8.1 ptt180 -92.6 140.87 29.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.331 1.019 . . . . 0.0 110.301 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.598 ' CE3' ' OD1' ' A' ' 41' ' ' ASP . 43.5 t-105 -104.51 -90.53 0.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.495 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 145.89 -77.92 0.25 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.547 ' OG1' ' CD1' ' A' ' 83' ' ' TRP . 3.9 m 68.89 -55.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 0.703 . . . . 0.0 110.379 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 72' ' ' SER . 90.1 t 73.03 -104.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.241 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.78 92.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.335 1.022 . . . . 0.0 109.23 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.599 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 12.2 t -77.64 58.52 1.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 108.361 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.5 t -104.72 -19.82 13.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.357 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' A' ' 91' ' ' ALA . 9.5 t -89.33 -55.21 3.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.448 ' N ' ' CG2' ' A' ' 90' ' ' THR . . . -91.27 119.14 31.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.47 120.44 9.95 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.507 ' CB ' HG22 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -91.1 128.64 37.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 108.275 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.505 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 34.7 mt-30 -97.37 110.21 22.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.321 1.013 . . . . 0.0 110.297 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.505 ' HB ' ' CG1' ' A' ' 108' ' ' VAL . 2.1 t -88.92 106.17 16.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 O-C-N 124.58 1.175 . . . . 0.0 109.253 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.453 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . -162.35 174.16 38.72 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.574 1.171 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.503 ' CG ' HD21 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -105.92 116.71 32.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.507 0.769 . . . . 0.0 109.223 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.6 p -80.48 166.16 21.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 110.018 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.54 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -80.05 159.71 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.07 5.25 20.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.13 -86.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.242 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -177.77 40.81 0.09 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.478 1.111 . . . . 0.0 110.938 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.58 143.39 25.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.352 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -139.26 74.15 0.39 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.634 1.209 . . . . 0.0 110.818 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -26.96 10.41 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.771 . . . . 0.0 111.04 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -84.6 142.82 29.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.177 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.51 112.08 0.26 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.505 ' CG1' ' HB ' ' A' ' 95' ' ' VAL . 4.3 p -70.5 155.56 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.207 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -87.2 104.67 16.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.51 ' CD1' ' CG1' ' A' ' 69' ' ' VAL . 3.7 tt -65.8 119.97 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.442 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -72.79 59.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.957 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.422 ' HA ' ' C ' ' A' ' 12' ' ' GLY . 12.8 p90 -47.96 150.01 1.24 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.444 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 2.1 t30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.389 1.056 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.589 ' C9 ' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.462 ' N ' ' CD ' ' A' ' 3' ' ' PRO . . . 170.58 -54.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.366 1.041 . . . . 0.0 109.354 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -75.04 105.42 2.08 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.469 1.773 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.453 ' O ' ' O ' ' A' ' 22' ' ' ALA . 1.9 p 57.94 -149.24 0.46 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 110.488 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.471 ' CB ' HD11 ' A' ' 97' ' ' LEU . . . -80.6 114.93 19.84 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.42 1.075 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.1 p -140.08 150.24 44.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.628 1.205 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.625 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.4 t -83.87 132.7 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.401 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.798 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -30.48 -73.41 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.798 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.8 Cg_endo -74.81 -158.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.496 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -146.61 -68.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 110.133 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.456 ' HB2' ' N ' ' A' ' 113' ' ' ASN . 17.0 t -105.2 160.73 14.86 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.501 1.126 . . . . 0.0 110.043 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.77 19.08 57.13 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 mt -88.75 145.55 25.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 0.725 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -134.76 164.69 26.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.482 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 13.8 p-10 -59.67 88.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.77 23.7 0.95 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.581 1.176 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.408 ' HB ' ' HB ' ' A' ' 69' ' ' VAL . 36.2 m -87.54 104.37 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.276 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 t -78.97 124.89 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.446 1.091 . . . . 0.0 109.366 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.494 HG11 ' CG ' ' A' ' 9' ' ' PRO . 23.5 m -151.82 169.88 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -102.63 135.46 44.22 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 6' ' ' THR . 30.3 t -109.33 103.99 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.61 126.72 35.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.419 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -114.58 82.8 0.32 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.424 1.077 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.85 132.88 34.35 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 66.18 14.57 61.83 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.572 1.17 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -83.07 -142.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.607 ' NE2' ' CZ ' ' A' ' 32' ' ' TYR . 8.2 mm100 -47.32 90.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.62 89.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.225 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 70.21 8.15 61.43 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.624 1.202 . . . . 0.0 111.0 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.582 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.12 177.31 6.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 0.0 110.416 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.528 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -141.83 114.15 8.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.21 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.607 ' CZ ' ' NE2' ' A' ' 27' ' ' GLN . 7.2 m-30 -116.35 -169.58 1.64 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 111.037 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.528 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -107.5 111.05 23.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -77.81 139.31 18.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.565 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 170.67 159.57 16.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.403 1.064 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -94.9 102.35 14.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 110.265 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.511 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 1.4 t -106.05 148.63 27.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -179.99 167.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.507 ' HA ' ' HA ' ' A' ' 45' ' ' LEU . 41.4 p-90 -76.9 116.33 17.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 108.055 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.472 HG22 ' CG2' ' A' ' 85' ' ' THR . 0.3 OUTLIER -105.51 -43.92 7.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.604 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -83.25 -162.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.37 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -65.14 80.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.98 22.62 66.89 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.501 1.126 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' TRP . 36.7 t -100.07 114.67 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.779 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 9.3 tt -66.72 101.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -112.63 139.61 48.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.623 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 55.7 m -98.59 157.05 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 108.384 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.451 ' O ' ' HB3' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -83.07 165.51 40.71 Favored Pre-proline 0 C--N 1.323 -0.573 0 O-C-N 124.429 1.08 . . . . 0.0 109.204 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.585 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 17.9 Cg_endo -75.01 -20.71 16.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.39 13.36 35.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.415 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.571 ' OD1' ' C7 ' ' A' ' 130' ' ' NCZ . 0.0 OUTLIER -89.15 6.59 39.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.368 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.1 m-85 -106.61 84.91 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' SER . 1.3 t -144.48 87.55 1.88 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' SER . 60.3 p -35.23 148.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.931 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.505 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 7.3 p -152.93 156.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.388 1.055 . . . . 0.0 109.239 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.528 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -146.68 134.89 21.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 0.0 110.362 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.481 ' HB3' ' CB ' ' A' ' 63' ' ' ALA . . . -99.93 133.62 44.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -51.85 159.62 0.81 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.9 -28.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 109.248 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.425 ' N ' ' C ' ' A' ' 58' ' ' ASP . 49.0 t30 -88.58 32.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.85 46.23 7.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.402 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 1.6 m -114.54 98.18 6.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 0.766 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 57' ' ' ALA . . . -107.27 84.23 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.3 p -93.54 81.4 4.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.505 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 1.8 t -108.78 135.69 49.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.414 1.072 . . . . 0.0 110.454 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.1 p -98.16 137.5 36.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.592 1.183 . . . . 0.0 110.046 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.53 168.11 28.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.211 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.7 m -99.76 140.5 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.36 1.038 . . . . 0.0 110.42 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.529 ' CG1' ' NH2' ' A' ' 71' ' ' ARG . 57.3 t -89.12 85.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -88.66 78.93 7.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.162 . . . . 0.0 110.351 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.529 ' NH2' ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -61.57 -23.49 66.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 38.0 t -103.41 125.99 50.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.962 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' HB3' ' CG ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 165.85 -176.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.524 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 8.6 tt0 -87.04 115.29 24.32 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.443 1.09 . . . . 0.0 110.355 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.68 166.5 30.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.579 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 2.6 m-85 -132.63 121.59 23.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 0.752 . . . . 0.0 111.049 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.521 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -43.99 166.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.601 1.188 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.503 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -71.46 -23.5 61.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.947 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.13 -58.79 4.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.412 1.07 . . . . 0.0 109.276 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.28 -25.87 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.32 144.21 53.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.472 0.748 . . . . 0.0 110.373 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.579 ' HG2' ' CD2' ' A' ' 76' ' ' PHE . 18.0 mtt180 -78.19 129.47 35.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.334 1.021 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.604 ' CE3' ' OD2' ' A' ' 41' ' ' ASP . 60.8 t-105 -92.87 -87.76 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.524 ' O ' ' HA ' ' A' ' 74' ' ' GLU . . . 170.03 -52.81 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.616 1.197 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.472 ' CG2' HG22 ' A' ' 40' ' ' VAL . 17.4 m 66.38 -60.95 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 0.728 . . . . 0.0 110.376 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' GLY . 76.2 t 66.21 -86.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -118.56 100.75 7.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 29.4 t -85.0 48.94 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.644 1.215 . . . . 0.0 108.267 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 t -90.42 -23.54 21.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.611 1.194 . . . . 0.0 110.389 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 m -88.11 -39.23 14.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.419 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -91.07 126.92 36.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.075 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.34 103.5 2.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.397 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.473 ' HB2' ' NH1' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -79.55 122.88 27.04 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.522 1.139 . . . . 0.0 108.138 -179.844 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 21.3 mt-30 -89.92 114.52 26.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.438 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 4.6 t -86.78 108.08 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.151 . . . . 0.0 109.221 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.518 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . -164.42 178.81 39.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.504 1.127 . . . . 0.0 111.032 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.528 ' HA ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -106.04 144.46 32.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 0.794 . . . . 0.0 109.219 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.49 ' HB3' ' C5 ' ' A' ' 130' ' ' NCZ . 27.1 p -105.5 144.33 32.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.071 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.447 ' HA ' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -66.19 161.27 22.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.26 14.79 10.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.16 -37.85 8.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.641 1.213 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.03 50.68 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.414 1.071 . . . . 0.0 111.045 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 81.6 m-20 -148.65 154.0 39.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 0.798 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.528 ' HA3' ' C2 ' ' A' ' 130' ' ' NCZ . . . -139.02 69.36 0.48 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.566 1.166 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -37.31 2.06 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.48 1.779 . . . . 0.0 111.063 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.67 141.6 34.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.177 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 149.51 119.57 0.99 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.9 p -104.5 123.29 58.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 0.766 . . . . 0.0 109.395 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.44 87.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.362 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.598 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -100.95 159.6 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.532 1.145 . . . . 0.0 109.157 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.0 t 150.4 -53.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.046 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -161.34 174.71 13.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.456 ' N ' ' HB2' ' A' ' 11' ' ' SER . 18.1 t-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.421 1.076 . . . . 0.0 109.265 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.623 ' C10' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.494 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -177.2 60.01 0.16 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.4 Cg_endo -74.92 91.79 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.525 1.802 . . . . 0.0 111.064 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.48 ' O ' ' O ' ' A' ' 22' ' ' ALA . 30.0 p 46.53 -120.59 1.04 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.13 . . . . 0.0 110.364 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.466 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -87.04 118.6 26.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.49 ' CG2' ' HG2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -131.7 144.84 51.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.366 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.505 HG21 ' CG2' ' A' ' 19' ' ' VAL . 3.9 t -95.21 123.33 47.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.362 1.039 . . . . 0.0 109.253 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.739 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -59.87 -69.66 0.52 Allowed Pre-proline 0 N--CA 1.451 -0.39 0 O-C-N 124.517 1.136 . . . . 0.0 110.488 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.739 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.98 56.65 4.31 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.455 1.766 . . . . 0.0 111.032 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 t -89.31 4.19 49.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' GLY . 5.0 t -100.56 135.74 41.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.915 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 33.38 50.02 0.51 Allowed Glycine 0 CA--C 1.527 0.843 0 O-C-N 124.648 1.218 . . . . 0.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.525 ' CD2' HG13 ' A' ' 110' ' ' ILE . 1.3 pp -75.21 -178.24 3.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.357 0.681 . . . . 0.0 109.2 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -134.77 150.6 50.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.38 86.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.49 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 120.17 31.86 1.24 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.117 . . . . 0.0 110.923 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.04 132.82 39.5 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.522 0.778 . . . . 0.0 110.417 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.82 108.31 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.586 1.179 . . . . 0.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.616 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 33.6 m -114.13 157.0 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.181 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -103.59 114.19 28.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 6' ' ' THR . 13.1 t -92.41 98.31 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.48 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.05 112.38 23.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 5' ' ' ALA . . . -90.92 94.71 2.0 Allowed Glycine 0 CA--C 1.532 1.133 0 O-C-N 124.406 1.066 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.43 90.5 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 0.812 . . . . 0.0 109.232 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.529 ' O ' ' O ' ' A' ' 26' ' ' LEU . . . 96.71 38.32 4.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.143 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.542 ' CD1' ' CD2' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -56.98 -141.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.431 0.724 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.509 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . 5.5 tp60 -84.91 41.05 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 75.47 -9.69 1.37 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.399 1.062 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.554 ' HA2' ' CB ' ' A' ' 57' ' ' ALA . . . 127.13 2.49 6.5 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.507 1.13 . . . . 0.0 111.102 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 27' ' ' GLN . 3.0 m -58.51 -152.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 110.371 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.511 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -133.37 131.85 40.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.543 ' CD2' HD11 ' A' ' 97' ' ' LEU . 3.1 m-85 -129.21 -166.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 4.3 t70 -128.39 119.9 25.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.463 ' CG2' HG13 ' A' ' 55' ' ' VAL . 97.8 t -77.37 122.46 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' N ' ' OD1' ' A' ' 51' ' ' ASP . . . -162.51 115.71 0.67 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.481 1.113 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.574 HE21 ' CB ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -73.57 100.78 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.242 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.59 ' HB2' ' C6 ' ' A' ' 130' ' ' NCZ . 0.1 OUTLIER -99.22 152.0 20.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 108.279 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.506 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 172.59 163.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 38.6 p-90 -62.74 82.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.477 ' CG1' ' HB1' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -75.61 -40.38 40.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.088 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.609 ' CG ' ' CE3' ' A' ' 83' ' ' TRP . 6.8 t0 -90.64 -152.72 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.264 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.448 ' O ' ' CG2' ' A' ' 42' ' ' THR . 1.3 m -77.7 70.0 4.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.596 1.185 . . . . 0.0 110.455 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.23 22.03 61.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' ALA . 22.4 t -105.4 109.36 27.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.59 80.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.477 ' HB1' ' CG1' ' A' ' 40' ' ' VAL . . . -92.68 146.14 23.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.574 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 25.1 m -98.63 154.17 18.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.599 1.187 . . . . 0.0 108.28 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.574 ' CB ' HE21 ' A' ' 36' ' ' GLN . 2.7 m-80 -99.21 124.5 44.83 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.56 ' CD ' ' O ' ' A' ' 74' ' ' GLU . 18.3 Cg_endo -74.97 6.73 3.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.462 1.769 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . . . -99.71 -1.56 37.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.546 ' HB2' ' CD ' ' A' ' 36' ' ' GLN . 8.5 t70 -114.69 -16.85 11.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.248 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.429 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 3.3 m-85 -52.45 101.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 111.051 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.69 102.63 2.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 30.4 p -49.57 148.4 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.527 HG22 ' CB ' ' A' ' 65' ' ' THR . 5.6 p -155.6 166.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.511 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -144.27 155.3 43.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.432 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.554 ' CB ' ' HA2' ' A' ' 29' ' ' GLY . . . -105.48 146.51 29.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.407 1.067 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -61.74 161.12 10.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.205 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -39.02 -36.38 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -88.46 36.72 0.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.14 42.67 5.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 2.6 m -106.21 96.42 6.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.436 ' CB ' ' HB1' ' A' ' 57' ' ' ALA . . . -102.3 74.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 p -92.07 75.07 5.5 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.527 ' CB ' HG22 ' A' ' 55' ' ' VAL . 83.9 m -109.85 143.46 39.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.4 p -109.86 134.39 52.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.076 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.72 -179.42 6.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.2 t -105.48 122.62 46.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.467 ' CG2' HG22 ' A' ' 110' ' ' ILE . 8.2 p -88.26 92.66 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 109.229 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.49 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 13.4 mmt180 -88.57 71.0 8.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.406 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 7.4 ttp180 -41.23 -32.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' ' 73' ' ' PHE . 56.8 m -93.94 123.72 37.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.096 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 50' ' ' ALA . 0.6 OUTLIER 174.49 179.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' ' 49' ' ' PRO . 2.5 tp10 -85.55 111.45 20.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.25 153.09 33.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.15 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -128.6 126.49 40.36 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 0.796 . . . . 0.0 111.013 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.442 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 3.9 mt -64.69 140.77 58.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.202 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 78' ' ' PHE . 3.9 p90 -70.17 -27.3 64.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.161 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -54.53 -50.97 66.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.33 -27.2 0.25 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.387 1.055 . . . . 0.0 111.032 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.3 m -85.46 164.35 17.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.407 0.71 . . . . 0.0 110.369 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 35.5 ptt180 -114.31 145.59 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.609 ' CE3' ' CG ' ' A' ' 41' ' ' ASP . 59.8 t-105 -104.79 -90.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 108.04 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 143.59 -68.21 0.43 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.509 ' C ' ' CG2' ' A' ' 86' ' ' VAL . 1.6 m 67.72 -59.63 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.749 . . . . 0.0 110.353 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.509 ' CG2' ' C ' ' A' ' 85' ' ' THR . 2.6 t 84.7 -46.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -130.3 106.14 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 48.5 t -90.81 42.37 1.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.567 1.167 . . . . 0.0 108.32 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 66.6 m -87.4 -17.62 31.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.5 m -87.97 -52.07 5.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.065 . . . . 0.0 110.477 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.416 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -89.15 129.57 35.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.396 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.88 114.86 3.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.586 1.179 . . . . 0.0 109.228 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.506 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -89.57 126.73 35.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.283 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 39.0 mt-30 -96.84 110.79 23.21 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 39.8 t -89.36 121.69 39.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.69 169.76 40.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.543 HD11 ' CD2' ' A' ' 32' ' ' TYR . 2.0 pp -106.65 125.32 50.85 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 0.792 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.537 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 87.7 p -100.02 166.35 11.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -79.11 160.73 26.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.643 1.214 . . . . 0.0 109.222 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.49 13.31 12.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.7 -61.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 154.08 49.85 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.566 1.166 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -139.68 148.73 42.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -118.64 110.34 1.91 Allowed Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.503 1.127 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.358 1.031 0 O-C-N 124.619 1.852 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.12 139.91 35.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.445 1.09 . . . . 0.0 110.331 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -115.59 167.74 12.47 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.461 1.1 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.8 p -104.16 121.98 56.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 109.276 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.7 93.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.646 1.216 . . . . 0.0 109.419 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.615 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -81.33 137.73 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.372 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 3.2 p 149.43 -78.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.483 1.115 . . . . 0.0 110.069 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.428 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 92.8 t80 -154.22 122.1 5.94 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.685 1.24 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.59 ' C6 ' ' HB2' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 171.42 76.77 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 119.47 5.65 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.424 1.749 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 2.9 p 47.0 -142.54 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.639 1.212 . . . . 0.0 110.434 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.491 ' N ' HD11 ' A' ' 26' ' ' LEU . . . -84.34 124.51 31.35 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.611 1.194 . . . . 0.0 109.316 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -144.54 145.19 31.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.497 ' CG1' ' HB ' ' A' ' 19' ' ' VAL . 2.3 t -88.37 120.33 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.768 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -54.22 -70.42 0.29 Allowed Pre-proline 0 N--CA 1.451 -0.376 0 O-C-N 124.414 1.072 . . . . 0.0 110.463 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.768 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.05 56.12 4.18 Favored 'Trans proline' 0 C--N 1.362 1.251 0 O-C-N 124.402 1.738 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 111' ' ' SER . 83.5 p -89.17 23.11 2.56 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.389 1.056 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -112.29 128.34 56.24 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.643 1.214 . . . . 0.0 110.099 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' SER . . . 36.45 50.59 1.34 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.483 ' CD2' HG22 ' A' ' 69' ' ' VAL . 4.7 mp -53.53 -175.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 0.717 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.7 t -143.0 152.38 41.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.95 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -52.84 87.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 101.41 46.63 1.65 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -92.12 127.06 37.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.453 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.33 111.63 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.569 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 31.5 m -120.07 162.15 18.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -113.82 115.17 27.34 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.419 1.074 . . . . 0.0 109.209 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.4 t -90.77 93.87 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.376 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -88.17 121.03 30.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -104.5 122.04 7.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.578 1.174 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.45 100.94 7.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.63 24.97 26.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.517 ' CD2' HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -90.27 -146.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.577 ' OE1' ' CE1' ' A' ' 32' ' ' TYR . 17.5 mm-40 -45.23 91.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -61.68 85.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.597 1.186 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 77.9 6.21 87.12 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.582 1.177 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.55 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.74 -176.95 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.667 0.863 . . . . 0.0 110.44 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.515 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -142.68 122.67 13.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CE1' ' OE1' ' A' ' 27' ' ' GLN . 3.8 m-30 -118.13 -178.14 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.049 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 23.9 t0 -98.14 112.9 24.7 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -85.66 141.81 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.615 1.197 . . . . 0.0 109.287 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.531 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 162.86 156.16 8.41 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.471 1.107 . . . . 0.0 111.053 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.545 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -92.5 100.46 13.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 0.0 110.352 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.469 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 1.8 t -105.58 153.47 21.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.594 1.184 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 176.62 166.17 0.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.369 1.043 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.472 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 34.0 p-90 -76.66 108.84 9.95 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 41' ' ' ASP . 0.4 OUTLIER -97.99 -45.28 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.608 ' OD2' ' CZ2' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -86.41 -162.78 0.8 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.7 m -61.32 79.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.396 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 61.91 24.76 65.1 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.61 1.194 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 39' ' ' TRP . 84.6 t -97.56 108.15 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.424 0.72 . . . . 0.0 109.246 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -65.5 90.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.484 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -103.75 146.64 28.32 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.56 1.163 . . . . 0.0 109.224 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.648 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 8.4 m -105.73 153.58 21.66 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.456 1.097 . . . . 0.0 108.416 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.587 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -76.61 167.91 32.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.54 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -74.98 -16.71 20.1 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.542 1.811 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.462 ' CB ' ' HD2' ' A' ' 70' ' ' ARG . . . -105.01 12.64 32.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.886 ' HD2' ' C8 ' ' A' ' 130' ' ' NCZ . 0.0 OUTLIER -90.46 10.92 23.3 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.627 1.205 . . . . 0.0 109.262 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -107.65 84.18 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.94 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.522 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 0.6 OUTLIER -150.16 86.9 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.8 p -56.38 134.23 53.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.048 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.479 ' CG1' ' OG1' ' A' ' 65' ' ' THR . 35.8 m -129.26 168.54 22.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.515 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -139.3 138.02 36.34 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.456 1.098 . . . . 0.0 110.439 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.499 ' HB1' ' CB ' ' A' ' 63' ' ' ALA . . . -101.34 133.55 45.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.583 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -53.88 158.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.18 -29.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.244 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.438 ' N ' ' C ' ' A' ' 58' ' ' ASP . 14.9 t-20 -88.82 34.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.91 40.91 5.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -99.2 93.47 5.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.413 0.714 . . . . 0.0 110.027 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.499 ' CB ' ' HB1' ' A' ' 57' ' ' ALA . . . -100.01 84.66 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 p -97.28 79.31 2.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.479 ' OG1' ' CG1' ' A' ' 55' ' ' VAL . 6.3 t -109.05 131.42 55.09 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.4 p -109.47 136.59 48.64 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.394 1.059 . . . . 0.0 110.04 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.38 175.15 12.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.228 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.423 ' CG2' ' C ' ' A' ' 16' ' ' GLY . 5.3 m -102.48 135.95 43.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.443 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.495 ' CG2' HG23 ' A' ' 19' ' ' VAL . 43.0 t -89.29 87.9 2.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.664 1.227 . . . . 0.0 109.385 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.462 ' HD2' ' CB ' ' A' ' 50' ' ' ALA . 13.5 mtt-85 -93.79 101.83 13.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 71' ' ' ARG . 4.2 ttm-85 -78.49 -26.83 46.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.613 1.196 . . . . 0.0 110.277 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.538 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -99.44 113.78 26.33 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.454 1.096 . . . . 0.0 109.993 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.533 ' HB3' ' CG ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 172.1 -175.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 49' ' ' PRO . 1.2 tt0 -91.15 123.48 34.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 110.227 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.407 ' HA3' ' OG1' ' A' ' 85' ' ' THR . . . -103.94 164.37 15.19 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.501 1.126 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.484 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 46.2 m-85 -121.28 135.76 55.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.582 0.813 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.547 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 36.5 mt -47.6 174.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 7.4 p90 -80.31 -25.21 39.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.481 ' HD2' HD11 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -74.53 -55.81 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.22 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 165.64 -28.95 0.2 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.364 1.04 . . . . 0.0 111.048 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 19.1 m -66.31 133.47 50.62 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.426 0.721 . . . . 0.0 110.271 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.408 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -68.05 135.61 52.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.608 ' CZ2' ' OD2' ' A' ' 41' ' ' ASP . 35.6 t-105 -102.57 -91.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 177.15 -47.77 0.1 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.403 1.064 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 1.9 m 65.38 -66.2 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 0.805 . . . . 0.0 110.406 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 72' ' ' SER . 77.7 t 64.48 -102.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.41 105.03 17.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.473 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 39.3 t -89.75 39.64 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 108.385 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.9 t -88.83 -21.45 23.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.387 1.054 . . . . 0.0 110.425 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.9 m -88.43 -47.95 7.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.613 1.196 . . . . 0.0 110.416 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -90.02 106.65 18.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -49.25 116.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.47 126.57 33.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 108.363 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 33.6 mt-30 -98.98 110.54 23.14 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.545 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 36.8 t -87.42 114.85 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.332 1.02 . . . . 0.0 109.31 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.502 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . -167.23 174.33 42.44 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.614 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -108.51 113.05 25.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.217 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.4 p -83.57 155.84 23.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.964 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.509 ' HA ' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -42.79 163.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.149 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.25 -21.49 65.22 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.392 1.057 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.16 -8.79 52.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.227 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.84 28.49 50.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.665 1.228 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.414 ' CB ' ' H16' ' A' ' 130' ' ' NCZ . 12.6 p30 -146.25 156.04 43.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.799 . . . . 0.0 109.229 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.77 148.75 4.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.57 1.169 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.1 -12.6 21.33 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.479 1.778 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.63 109.8 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.54 137.26 3.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.583 1.177 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 95' ' ' VAL . 12.0 p -103.94 127.23 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.9 93.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -70.1 126.19 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.394 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.482 ' C ' HD11 ' A' ' 13' ' ' LEU . 12.1 m -66.38 62.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.112 . . . . 0.0 109.93 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 110' ' ' ILE . 8.1 p90 -37.59 158.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.9 p30 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.886 ' C8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.559 ' CB ' ' CB ' ' A' ' 24' ' ' ALA . . . 179.41 65.88 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.415 ' HG2' HG22 ' A' ' 6' ' ' THR . 17.8 Cg_endo -75.22 77.88 3.09 Favored 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.412 1.743 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 4.4 p 51.58 -139.83 0.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.577 1.173 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.504 ' CB ' HD22 ' A' ' 97' ' ' LEU . . . -75.22 115.75 15.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.415 HG22 ' HG2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -142.24 142.86 32.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.37 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.609 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 1.2 t -79.18 143.31 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.485 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.53 -56.02 1.38 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.426 1.079 . . . . 0.0 110.397 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.88 -171.88 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.382 1.728 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.9 p -151.56 -60.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.524 ' CB ' ' HA ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -127.65 159.31 35.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.42 28.36 67.91 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.424 1.078 . . . . 0.0 110.955 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.535 ' CD2' HG22 ' A' ' 110' ' ' ILE . 0.8 OUTLIER -78.41 174.98 10.71 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.411 0.712 . . . . 0.0 109.375 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.512 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 3.7 t -128.31 153.24 47.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.404 1.065 . . . . 0.0 109.999 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.5 56.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 163.17 31.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.415 ' O ' ' HB ' ' A' ' 69' ' ' VAL . 8.6 m -91.74 102.89 15.51 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.469 0.746 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.539 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.6 p -93.48 128.15 45.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.404 1.065 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.609 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 33.2 m -152.35 -161.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.575 1.172 . . . . 0.0 109.369 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 5.8 pttm -113.96 140.74 48.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 6' ' ' THR . 2.5 t -111.64 107.22 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.231 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.24 129.26 35.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 5' ' ' ALA . . . -108.31 100.01 1.4 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.559 ' CB ' ' CB ' ' A' ' 2' ' ' ALA . . . -94.0 104.74 16.77 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.552 0.795 . . . . 0.0 109.36 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.7 32.62 14.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.604 1.19 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.47 HD22 ' CB ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -80.68 -141.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.736 . . . . 0.0 109.227 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.643 ' CG ' ' CZ ' ' A' ' 32' ' ' TYR . 10.3 mm100 -76.9 73.06 3.51 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.602 1.189 . . . . 0.0 110.407 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . . . -58.83 87.14 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 115.71 -30.59 6.55 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.486 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -92.68 -171.04 2.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 110.405 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 56' ' ' THR . . . -150.49 140.99 22.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.401 1.063 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.643 ' CZ ' ' CG ' ' A' ' 27' ' ' GLN . 9.4 m-30 -123.68 -169.82 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 111.013 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.487 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 5.7 t0 -123.52 118.9 28.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.744 ' CG1' ' HD2' ' A' ' 51' ' ' ASP . 2.5 t -71.37 129.8 35.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.621 1.201 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.529 ' CA ' ' OD1' ' A' ' 51' ' ' ASP . . . -172.7 114.38 0.52 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.429 1.081 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.652 ' NE2' ' HB2' ' A' ' 51' ' ' ASP . 2.6 mt-30 -55.34 88.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -98.68 147.33 24.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 37' ' ' CYS . . . 166.9 172.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.372 1.045 . . . . 0.0 109.216 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.405 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 9.1 p90 -69.63 86.33 0.47 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.522 ' CG1' ' HB2' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -86.33 -49.7 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.206 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.536 ' HB2' ' CG ' ' A' ' 83' ' ' TRP . 1.2 t70 -91.78 170.87 9.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.186 . . . . 0.0 109.219 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.526 ' N ' ' CG ' ' A' ' 41' ' ' ASP . 27.9 m -33.66 94.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.597 1.186 . . . . 0.0 110.36 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 44.12 25.66 0.74 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 111.065 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 39' ' ' TRP . 2.6 t -103.8 121.82 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.543 0.79 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.9 OUTLIER -74.97 88.12 2.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.522 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . . . -96.93 146.86 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 59.3 m -102.89 155.18 18.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.508 ' CB ' HE21 ' A' ' 36' ' ' GLN . 9.7 m-80 -92.49 110.64 46.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.381 1.051 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.567 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 17.9 Cg_endo -74.98 7.54 2.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.591 1.838 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.628 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . . . -105.95 -4.08 21.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.234 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.744 ' HD2' ' CG1' ' A' ' 34' ' ' VAL . 10.5 t0 -113.83 2.6 15.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -58.25 107.85 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.461 ' CB ' HD23 ' A' ' 67' ' ' LEU . 38.9 t -153.62 96.71 2.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 12.4 p -60.02 132.4 53.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.49 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 1.7 p -147.24 161.2 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -122.03 158.72 28.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.344 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -105.48 137.76 42.79 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -67.74 156.47 36.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.415 1.072 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.06 -34.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.405 1.065 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -87.42 36.99 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 39.13 41.5 1.42 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -102.72 101.47 11.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 0.0 109.991 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.87 78.26 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.6 p -90.35 78.08 6.5 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.4 1.063 . . . . 0.0 109.915 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.49 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 15.0 t -108.33 129.14 55.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.548 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.463 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 19.6 p -98.17 147.93 24.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -158.58 -178.68 7.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.207 -179.913 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.539 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 9.6 t -106.26 128.92 54.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 13' ' ' LEU . 60.0 t -88.54 88.41 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -107.98 79.37 1.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.47 ' NH2' ' OE1' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -47.72 -25.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.36 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.51 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 10.2 p -92.32 112.21 24.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.628 ' CD2' ' CB ' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -179.61 162.14 1.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.594 1.184 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.531 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 5.9 tt0 -82.81 113.59 20.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.39 163.72 37.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.403 1.064 . . . . 0.0 111.036 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.59 ' CZ ' ' HG2' ' A' ' 82' ' ' ARG . 2.2 m-85 -119.71 121.73 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.724 . . . . 0.0 110.997 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.504 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 39.4 mt -41.67 161.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -75.9 -27.7 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 111.041 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -66.38 -54.8 20.21 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.06 -28.18 0.22 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.4 m -67.68 157.81 33.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 0.0 110.349 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.59 ' HG2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -90.46 135.44 33.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.63 1.206 . . . . 0.0 110.281 179.939 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.536 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 65.7 t-105 -101.93 -89.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.531 ' HA2' ' CG ' ' A' ' 74' ' ' GLU . . . 144.21 -81.15 0.22 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.607 1.192 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.482 ' O ' ' HB ' ' A' ' 86' ' ' VAL . 2.0 m 67.54 -57.4 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 72' ' ' SER . 59.0 t 72.1 -103.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -64.51 96.6 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.059 . . . . 0.0 109.35 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 16.1 t -87.83 46.6 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 108.375 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 74.8 m -85.92 -22.19 27.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.496 1.122 . . . . 0.0 110.415 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.1 m -89.47 -44.45 10.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.627 1.205 . . . . 0.0 110.367 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.428 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -88.02 142.75 27.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.0 87.67 6.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.409 1.068 . . . . 0.0 109.233 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.436 ' HA ' ' HB1' ' A' ' 38' ' ' ALA . 63.3 m -67.84 133.89 49.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 108.394 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 33.0 mt-30 -97.85 115.61 28.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.9 t -88.34 125.73 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.398 1.061 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.432 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . -178.55 174.46 46.67 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.567 ' CD1' ' HB2' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -105.69 129.6 53.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 0.719 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.535 ' OG ' ' C8 ' ' A' ' 130' ' ' NCZ . 84.4 p -104.79 165.06 11.33 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.498 1.123 . . . . 0.0 110.095 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.591 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -86.05 158.91 19.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.393 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.79 13.1 15.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 109.32 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.86 -47.28 3.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.42 51.61 0.28 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 105' ' ' PRO . 82.2 m-20 -113.87 146.08 40.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 0.761 . . . . 0.0 109.364 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -31.66 93.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.817 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.561 ' HG2' ' C1 ' ' A' ' 130' ' ' NCZ . 18.2 Cg_endo -75.06 151.17 38.92 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.488 1.783 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.25 150.36 21.36 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 179.926 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -176.78 138.65 4.09 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 110' ' ' ILE . 2.2 p -105.69 120.58 56.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.587 0.816 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.61 82.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.392 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.614 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.9 OUTLIER -84.78 158.29 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.614 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.5 t 150.0 -70.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.055 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.524 ' HA ' ' CB ' ' A' ' 11' ' ' SER . 84.3 t80 -169.99 164.34 9.5 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.434 ' N ' ' HB2' ' A' ' 11' ' ' SER . 59.1 t-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.351 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.575 ' C2 ' ' HB3' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 24' ' ' ALA . . . -87.78 114.1 57.52 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.405 ' O ' ' OG1' ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.98 -2.9 13.15 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.563 1.823 . . . . 0.0 111.032 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.443 ' O ' ' O ' ' A' ' 22' ' ' ALA . 1.2 p 61.76 -163.89 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.61 1.194 . . . . 0.0 110.431 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.509 ' CB ' HD13 ' A' ' 97' ' ' LEU . . . -62.42 112.79 2.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.212 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.424 HG23 ' CG2' ' A' ' 108' ' ' VAL . 0.9 OUTLIER -140.48 146.11 37.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.535 ' CG1' ' HB ' ' A' ' 19' ' ' VAL . 1.5 t -88.01 121.75 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.74 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -55.95 -68.8 0.49 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 110.43 -179.921 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.74 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.93 59.88 5.24 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.581 1.832 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.534 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 85.0 p -88.3 21.56 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -107.94 137.7 45.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.586 1.179 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 37.57 48.18 1.72 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.421 1.075 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.555 ' C ' ' CD1' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -42.99 163.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 0.0 109.347 179.922 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -139.38 142.92 37.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.674 1.234 . . . . 0.0 109.955 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -53.68 90.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.48 ' HA2' ' CG2' ' A' ' 68' ' ' THR . . . 104.43 38.75 2.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.585 1.178 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.13 124.35 37.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 110.332 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -74.64 113.64 13.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.586 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 5.5 m -118.92 154.9 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.304 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 111.59 23.99 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.616 1.197 . . . . 0.0 109.218 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.2 t -89.17 92.31 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -88.66 116.55 26.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.456 ' HA2' ' N ' ' A' ' 5' ' ' ALA . . . -101.55 75.5 0.36 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.096 . . . . 0.0 111.062 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 2' ' ' ALA . . . -78.06 104.75 8.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.38 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 79.16 35.62 29.81 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.621 1.201 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.471 ' CD1' ' N ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -61.5 -121.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.584 0.814 . . . . 0.0 109.214 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.614 ' NE2' ' HG1' ' A' ' 30' ' ' THR . 0.1 OUTLIER -85.04 33.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 76.08 -13.59 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.636 1.21 . . . . 0.0 109.359 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.612 ' HA2' ' CB ' ' A' ' 57' ' ' ALA . . . 132.31 3.97 3.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.614 ' HG1' ' NE2' ' A' ' 27' ' ' GLN . 2.0 m -58.01 -154.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.417 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.598 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -135.7 142.06 45.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.405 1.066 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.612 ' CD1' ' HA ' ' A' ' 99' ' ' ASP . 6.1 m-30 -151.04 169.9 20.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.45 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -91.02 111.22 22.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.943 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.475 HG12 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -79.06 136.86 22.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 109.226 -179.891 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.559 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 178.03 160.4 24.39 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.608 1.192 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.485 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -96.41 101.51 13.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 0.796 . . . . 0.0 110.22 -179.932 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.542 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 3.5 t -107.89 151.64 25.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 108.334 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 175.47 167.54 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 109.309 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -68.24 108.18 3.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.632 1.207 . . . . 0.0 108.01 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.619 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -93.32 -46.0 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.362 179.949 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.594 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -89.7 -161.02 0.74 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.9 m -70.06 84.38 0.52 Allowed 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 124.378 1.049 . . . . 0.0 110.435 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.71 20.71 70.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 98.8 t -101.2 110.37 27.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.539 0.788 . . . . 0.0 109.228 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.06 99.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.448 ' CB ' ' HB ' ' A' ' 40' ' ' VAL . . . -111.32 135.5 51.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.58 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 48.7 m -97.11 156.02 16.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 108.291 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.634 ' N ' HD21 ' A' ' 48' ' ' ASN . 1.9 m120 -79.25 161.64 67.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.403 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.552 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.1 -13.85 21.08 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.6 1.842 . . . . 0.0 110.942 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.62 18.73 20.55 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.962 ' HD2' ' C8 ' ' A' ' 130' ' ' NCZ . 0.0 OUTLIER -87.02 9.26 20.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.552 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -104.38 88.23 2.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.475 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -148.33 83.73 1.49 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.629 1.206 . . . . 0.0 109.92 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.87 143.83 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.96 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.481 HG22 ' CB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -156.22 164.04 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 O-C-N 124.354 1.034 . . . . 0.0 109.364 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.579 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -145.41 153.65 41.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.424 1.077 . . . . 0.0 110.438 179.926 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.612 ' CB ' ' HA2' ' A' ' 29' ' ' GLY . . . -101.53 145.1 29.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.629 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER -59.02 160.96 5.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.7 -33.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.362 1.039 . . . . 0.0 109.108 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -88.39 34.04 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.197 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.629 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.82 45.11 7.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.156 . . . . 0.0 111.065 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 17.2 m -113.98 97.47 6.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 0.742 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 57' ' ' ALA . . . -102.66 82.43 2.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.4 p -91.99 79.13 5.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.574 1.171 . . . . 0.0 110.043 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.481 ' CB ' HG22 ' A' ' 55' ' ' VAL . 2.3 t -107.36 142.68 36.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 110.39 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.8 p -100.21 133.18 44.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.687 1.242 . . . . 0.0 109.878 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.45 166.63 22.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.48 ' CG2' ' HA2' ' A' ' 16' ' ' GLY . 2.3 m -105.8 133.18 50.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.386 1.054 . . . . 0.0 110.439 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 19' ' ' VAL . 22.7 t -88.79 84.88 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.7 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 5.7 mmt85 -88.09 68.33 9.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.609 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 5.6 ttm180 -37.19 -30.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 21.8 p -93.88 122.25 36.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.927 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.7 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 178.01 168.12 0.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.429 1.08 . . . . 0.0 110.971 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -93.05 110.23 21.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.418 1.074 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.1 163.63 54.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.585 1.178 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -138.51 117.27 12.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.507 0.769 . . . . 0.0 110.984 -179.934 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.485 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 18.2 mt -52.78 163.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 79' ' ' ASP . 2.7 p90 -77.64 -34.29 53.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.422 1.076 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 78' ' ' PHE . 2.5 t0 -53.52 -50.56 65.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.548 1.155 . . . . 0.0 109.403 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.24 -22.1 0.76 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.2 m -77.95 138.62 38.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 0.76 . . . . 0.0 110.347 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 9.1 ptp180 -83.85 142.97 30.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.636 1.21 . . . . 0.0 110.244 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.619 ' CD1' HG13 ' A' ' 40' ' ' VAL . 76.0 t-105 -104.99 -90.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 150.06 -75.13 0.26 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.394 1.058 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.498 ' O ' ' HB ' ' A' ' 86' ' ' VAL . 1.2 m 68.15 -57.25 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.648 0.852 . . . . 0.0 110.418 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 72' ' ' SER . 96.1 t 72.67 -102.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.16 101.58 3.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 0.9 OUTLIER -83.56 72.0 10.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 108.3 -179.937 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.405 HG23 ' NH1' ' A' ' 71' ' ' ARG . 94.5 m -105.55 -27.46 11.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 110.341 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.8 m -88.48 -43.27 11.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.313 1.008 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.442 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -87.05 140.51 29.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.37 90.07 7.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.066 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.428 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 29.3 m -65.97 132.07 47.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 108.307 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 87.8 mt-30 -104.13 116.99 33.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.485 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 13.6 t -88.36 116.2 29.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.447 1.092 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.518 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . -169.53 172.75 43.7 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.471 1.107 . . . . 0.0 111.091 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.509 HD13 ' CB ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -107.0 134.91 49.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.747 . . . . 0.0 109.351 179.883 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.3 p -104.66 167.54 9.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.612 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -64.28 161.53 16.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.55 -3.88 48.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.348 1.03 . . . . 0.0 109.325 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.25 -14.11 58.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.62 28.38 8.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.569 1.168 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 26.4 p-10 -150.03 160.63 43.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 0.729 . . . . 0.0 109.225 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 146.96 111.69 0.68 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.459 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.2 Cg_endo -74.98 -5.42 16.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.1 120.52 6.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 110.277 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -179.15 136.79 2.94 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.424 ' CG2' HG23 ' A' ' 6' ' ' THR . 8.2 p -103.92 118.31 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.415 0.715 . . . . 0.0 109.365 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.88 92.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.644 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -88.95 136.59 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.612 1.195 . . . . 0.0 109.247 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 4.1 t 145.33 -66.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.437 1.086 . . . . 0.0 110.056 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.545 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.1 OUTLIER 25.64 88.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.8 t30 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.372 179.921 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.962 ' C8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.13 72.95 1.23 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.191 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.503 ' C ' ' CG2' ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.06 2.89 6.15 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.542 1.812 . . . . 0.0 111.039 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.506 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 1.0 OUTLIER 66.68 -146.33 0.17 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.506 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -76.52 111.01 11.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.586 1.179 . . . . 0.0 109.445 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.474 ' CG2' HG21 ' A' ' 108' ' ' VAL . 1.8 p -149.37 150.74 32.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.517 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.1 t -74.2 131.24 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.473 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.24 -55.27 1.4 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.517 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.14 -159.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.403 1.739 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.58 -44.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 109.989 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.426 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 45.1 m -78.81 78.99 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.466 ' CA ' HG13 ' A' ' 69' ' ' VAL . . . -58.58 -11.62 10.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.608 1.193 . . . . 0.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.95 59.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -136.61 119.69 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.946 -179.892 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 14' ' ' SER . 6.0 p-10 -34.97 94.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 42.69 69.21 0.64 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.418 1.074 . . . . 0.0 111.016 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.508 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -74.29 123.22 24.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.358 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -94.46 120.15 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.382 1.051 . . . . 0.0 109.324 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.479 HG21 ' CG ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -148.17 -170.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.467 1.105 . . . . 0.0 109.185 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 42.2 mttt -121.48 131.28 54.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.6 t -97.61 106.35 18.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -87.31 135.56 33.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.457 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -115.39 73.18 0.25 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.08 122.39 25.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 0.0 109.215 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 80.33 23.59 60.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -84.97 -146.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.479 ' N ' HD12 ' A' ' 26' ' ' LEU . 2.4 mt-30 -83.67 80.96 8.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.469 ' HB1' ' CA ' ' A' ' 61' ' ' GLY . . . -61.13 130.09 44.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.365 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.05 -22.89 16.36 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.546 1.153 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.449 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -90.59 -174.0 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 0.0 110.452 179.932 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.508 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -160.34 150.3 18.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -149.89 174.7 12.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 111.07 179.934 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -94.87 119.8 34.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.233 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.54 HG22 ' CG2' ' A' ' 55' ' ' VAL . 1.4 t -74.27 134.18 30.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.663 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . -179.48 147.88 7.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.666 1.229 . . . . 0.0 111.012 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -93.15 108.53 20.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 110.353 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.533 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 0.7 OUTLIER -106.39 154.56 20.62 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.58 1.175 . . . . 0.0 108.326 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . 177.68 162.95 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.562 ' CE3' ' O ' ' A' ' 39' ' ' TRP . 65.0 p-90 -67.11 106.47 1.99 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.626 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -89.11 -42.39 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.607 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 4.8 t0 -82.51 -153.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 42' ' ' THR . 7.5 t -80.79 54.74 2.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.49 1.119 . . . . 0.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.1 -0.82 40.94 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.426 1.079 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.518 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 18.0 t -79.62 115.25 21.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.376 0.692 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.472 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -63.17 99.46 0.18 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.311 1.007 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' CB ' ' HB ' ' A' ' 40' ' ' VAL . . . -109.61 145.25 36.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.612 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 83.0 m -103.77 159.13 15.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 0.0 108.304 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.692 ' N ' HD21 ' A' ' 48' ' ' ASN . 1.0 OUTLIER -84.77 160.22 56.24 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.538 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 18.4 Cg_endo -74.93 -16.79 20.19 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.534 1.807 . . . . 0.0 111.021 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.53 17.6 23.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.576 1.173 . . . . 0.0 109.239 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.725 ' HD2' ' H8 ' ' A' ' 130' ' ' NCZ . 0.0 OUTLIER -87.36 13.12 10.44 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.376 1.048 . . . . 0.0 109.336 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CD2' ' O ' ' A' ' 49' ' ' PRO . 16.1 m-85 -106.26 91.9 3.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.454 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 30.5 t -144.09 80.0 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 0.0 110.066 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.472 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 96.3 p -46.08 136.48 6.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.967 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.54 ' CG2' HG22 ' A' ' 34' ' ' VAL . 6.7 m -159.75 168.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.508 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -139.02 169.28 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.918 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.57 138.48 42.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -73.75 154.7 39.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.86 -27.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.455 ' N ' ' C ' ' A' ' 58' ' ' ASP . 6.4 t30 -87.3 31.45 0.73 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.07 41.56 2.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.479 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 71.7 m -118.04 113.42 21.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 0.728 . . . . 0.0 109.99 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.43 95.81 7.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.059 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.4 p -88.18 87.31 7.28 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.529 ' CB ' HG23 ' A' ' 34' ' ' VAL . 3.3 p -107.27 165.91 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.374 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 2.2 p -136.56 133.93 36.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.059 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.43 167.72 26.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.373 1.045 . . . . 0.0 109.173 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.1 t -105.27 142.84 34.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.37 1.044 . . . . 0.0 110.402 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.479 ' CG2' HG23 ' A' ' 17' ' ' THR . 60.8 t -88.88 87.22 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.514 ' NH1' ' HB2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -88.94 126.84 35.57 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.616 1.198 . . . . 0.0 110.378 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -93.33 -37.0 12.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 0.0 110.165 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 2.4 m -106.02 125.27 50.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CD2' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 174.92 161.99 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.913 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 2.6 tp10 -83.14 125.17 31.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.207 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.09 170.92 30.75 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.458 1.098 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -130.36 126.3 36.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 0.0 110.988 -179.934 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 41' ' ' ASP . 4.9 mt -62.02 157.14 19.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.394 1.059 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.572 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -75.17 -29.43 60.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 111.018 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -54.59 -56.36 19.81 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.58 -26.79 0.24 Allowed Glycine 0 CA--C 1.532 1.122 0 O-C-N 124.476 1.11 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 23.3 m -83.73 149.35 26.52 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 0.781 . . . . 0.0 110.353 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.9 mtt-85 -86.05 144.67 27.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 110.363 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.626 ' CD1' HG12 ' A' ' 40' ' ' VAL . 44.5 t-105 -104.74 -90.52 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.506 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 146.86 -75.8 0.28 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.518 1.136 . . . . 0.0 111.093 -179.92 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.514 ' OG1' ' CG2' ' A' ' 40' ' ' VAL . 17.0 m 69.22 -55.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 0.726 . . . . 0.0 110.318 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.501 ' HB ' ' O ' ' A' ' 85' ' ' THR . 65.8 t 73.03 -100.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.424 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -60.69 117.59 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.577 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 9.2 t -91.07 40.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.373 1.046 . . . . 0.0 108.193 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.574 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 8.6 t -90.06 -24.1 21.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.7 m -89.57 -57.92 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.516 ' HA ' ' CH2' ' A' ' 39' ' ' TRP . . . -90.31 137.38 32.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.57 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . . . -82.04 127.84 33.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.387 1.054 . . . . 0.0 109.21 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 122.07 33.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.072 . . . . 0.0 108.285 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.54 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 21.4 mt-30 -102.98 117.5 34.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 4.3 t -86.3 116.81 29.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.342 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -156.49 168.07 33.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.904 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.6 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -105.96 127.01 52.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.579 0.811 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 32' ' ' TYR . 21.5 t -95.65 145.95 24.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.958 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -96.83 159.61 14.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.38 -3.58 37.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.88 -19.25 26.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.0 42.36 25.03 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 0.4 OUTLIER -94.72 137.1 34.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.82 97.68 0.01 OUTLIER Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.561 1.163 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.516 ' HG2' ' C2 ' ' A' ' 130' ' ' NCZ . 18.3 Cg_endo -75.02 139.32 24.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.565 1.824 . . . . 0.0 110.983 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.83 107.49 19.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -99.5 153.71 19.65 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.418 1.074 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.474 HG21 ' CG2' ' A' ' 6' ' ' THR . 9.6 p -105.39 114.52 45.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.6 0.824 . . . . 0.0 109.257 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.98 93.97 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.42 ' CG1' ' HA3' ' A' ' 12' ' ' GLY . 3.0 tp -70.89 145.0 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.426 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -70.16 56.77 0.15 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.155 . . . . 0.0 109.945 -179.922 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 88' ' ' CYS . 5.7 p90 -41.01 163.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 1.097 . . . . 0.0 111.048 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.969 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.725 ' H8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.509 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -162.68 66.98 1.82 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 4' ' ' THR . 18.8 Cg_endo -74.88 49.16 2.15 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.49 1.784 . . . . 0.0 111.073 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.483 ' HB ' ' CD2' ' A' ' 26' ' ' LEU . 10.1 p 36.34 -135.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.47 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' A' ' 97' ' ' LEU . . . -86.58 113.14 22.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.58 147.76 38.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.57 1.169 . . . . 0.0 110.489 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.55 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 4.5 t -80.53 133.35 29.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.586 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.81 -60.73 0.44 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 110.415 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.586 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.9 Cg_endo -74.96 -159.79 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.781 . . . . 0.0 111.038 179.87 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.507 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 18.5 m -151.79 -64.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -116.0 164.09 14.95 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.113 . . . . 0.0 110.033 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.01 25.02 53.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.09 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.458 ' CD1' HG23 ' A' ' 110' ' ' ILE . 4.3 mt -79.08 152.75 30.66 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.465 0.744 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.4 t -126.01 150.56 48.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.448 ' CB ' ' HB2' ' A' ' 72' ' ' SER . 0.3 OUTLIER -55.65 81.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.395 1.059 . . . . 0.0 109.382 179.927 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 125.55 35.32 0.61 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 68' ' ' THR . 83.9 m -85.78 105.2 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 0.752 . . . . 0.0 110.304 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.401 ' O ' HG11 ' A' ' 19' ' ' VAL . 2.4 t -73.38 118.62 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.539 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 0.2 OUTLIER -144.91 176.85 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.61 1.193 . . . . 0.0 109.141 -179.875 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -114.45 127.63 55.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.0 t -101.51 107.45 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.21 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.15 128.44 35.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -106.38 93.18 0.85 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.535 1.147 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.509 ' CB ' ' HA ' ' A' ' 2' ' ' ALA . . . -91.4 104.5 17.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 0.792 . . . . 0.0 109.23 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.36 30.42 27.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.483 ' CD2' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -90.66 -141.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.347 179.864 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.606 ' OE1' ' CE1' ' A' ' 32' ' ' TYR . 19.0 mm-40 -52.42 90.81 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.564 1.165 . . . . 0.0 110.322 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.02 84.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 76.99 5.06 84.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.573 1.17 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.514 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -90.0 -175.81 4.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 0.769 . . . . 0.0 110.399 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.508 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -144.11 115.54 8.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.606 ' CE1' ' OE1' ' A' ' 27' ' ' GLN . 4.6 m-30 -115.52 -168.89 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.625 ' HD2' ' HA ' ' A' ' 52' ' ' PHE . 37.1 t70 -115.58 111.84 21.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.705 1.253 . . . . 0.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -76.39 138.68 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.601 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 179.6 153.69 12.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.522 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.12 96.01 9.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.759 . . . . 0.0 110.279 -179.92 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.577 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 11.8 t -107.36 164.09 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 108.351 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 37' ' ' CYS . . . 167.57 159.22 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.578 1.174 . . . . 0.0 109.241 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.459 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 28.8 p90 -74.15 118.81 17.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 107.988 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.676 HG12 ' N ' ' A' ' 41' ' ' ASP . 1.2 p -108.61 -36.14 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.411 179.908 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.676 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -90.38 -175.41 4.47 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.1 m -54.47 84.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.367 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 59.95 18.01 45.77 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.509 1.131 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.512 HG11 ' CD2' ' A' ' 77' ' ' LEU . 9.6 t -93.97 122.67 45.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.401 0.706 . . . . 0.0 109.247 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.509 ' CD2' H172 ' A' ' 130' ' ' NCZ . 13.8 tp -77.32 112.21 13.79 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.387 1.054 . . . . 0.0 109.38 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.515 ' HB1' ' CE3' ' A' ' 83' ' ' TRP . . . -125.21 140.75 52.58 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.609 1.193 . . . . 0.0 109.361 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.577 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 3.9 m -110.52 150.44 28.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 108.417 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.575 ' CG ' ' CZ ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -78.15 168.28 28.79 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.594 1.184 . . . . 0.0 109.343 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.485 ' CG ' ' HB2' ' A' ' 73' ' ' PHE . 18.8 Cg_endo -74.99 -9.55 20.83 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.17 16.66 23.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.843 ' HD2' ' H8 ' ' A' ' 130' ' ' NCZ . 0.1 OUTLIER -87.5 6.25 35.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 109.214 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.625 ' HA ' ' HD2' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -107.98 96.43 6.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 110.907 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.438 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -150.06 84.56 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.041 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' SER . 91.3 p -38.48 144.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.946 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.483 HG23 ' CB ' ' A' ' 65' ' ' THR . 2.7 t -155.93 153.38 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.508 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -139.19 141.67 37.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.468 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -105.97 142.61 35.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -64.68 158.06 25.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.65 -28.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.425 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' C ' ' A' ' 58' ' ' ASP . 19.0 t30 -87.67 33.23 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.15 41.55 4.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.402 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 0.7 OUTLIER -106.12 100.17 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 0.712 . . . . 0.0 110.019 179.921 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 57' ' ' ALA . . . -103.04 82.46 2.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.0 p -88.81 83.16 6.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.368 1.042 . . . . 0.0 109.945 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.483 ' CB ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -106.96 163.02 13.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.395 179.929 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.5 p -135.35 134.56 39.93 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.956 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.73 172.23 18.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 17' ' ' THR . 14.3 t -106.17 140.75 38.65 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.564 1.165 . . . . 0.0 110.513 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 14' ' ' SER . 9.3 t -88.24 87.51 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.673 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -88.29 65.45 8.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.338 1.024 . . . . 0.0 110.351 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.542 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 5.7 ttp85 -39.15 -28.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 86' ' ' VAL . 4.2 m -93.79 137.11 33.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 110.061 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.673 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 161.44 175.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.373 1.046 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.543 ' HA ' ' HA2' ' A' ' 84' ' ' GLY . 4.5 tp10 -92.98 103.94 16.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.653 ' HA3' ' CE3' ' A' ' 83' ' ' TRP . . . -80.33 166.47 49.68 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.524 1.14 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -146.37 145.66 30.37 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.512 0.772 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 0.8 OUTLIER -91.25 145.77 24.38 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.196 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -83.92 -11.68 56.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -43.09 57.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 154.64 -24.64 0.65 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.406 1.066 . . . . 0.0 111.092 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 22.6 m -76.16 168.51 19.91 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 0.747 . . . . 0.0 110.3 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.524 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 9.2 ptp180 -109.53 142.02 41.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.653 ' CE3' ' HA3' ' A' ' 75' ' ' GLY . 1.5 t90 -97.15 -86.23 0.34 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.555 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 83.57 -114.71 3.92 Favored Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.552 1.158 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 26.7 m 82.81 -54.06 0.18 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.462 0.742 . . . . 0.0 110.463 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 72' ' ' SER . 2.8 t 85.79 -15.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -144.53 111.29 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 7.9 t -91.79 66.48 5.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.606 1.191 . . . . 0.0 108.329 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 t -104.17 -15.48 15.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 91' ' ' ALA . 9.7 t -89.34 -54.77 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 110.372 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.48 ' CB ' ' HA ' ' A' ' 40' ' ' VAL . . . -90.46 155.2 19.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -88.22 118.68 27.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.604 1.19 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.01 124.27 35.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.365 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -105.43 123.33 47.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.608 1.193 . . . . 0.0 110.273 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.522 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 1.9 t -89.41 132.04 35.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 179.15 172.45 43.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.482 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -107.35 136.25 47.48 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.928 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.436 ' CB ' ' H14' ' A' ' 130' ' ' NCZ . 87.8 p -106.08 159.09 16.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.603 1.189 . . . . 0.0 110.084 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.58 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -69.14 161.22 29.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.891 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.03 -5.02 58.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.4 -84.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -177.81 35.92 0.08 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.578 1.174 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 61.8 m-80 -148.94 163.89 36.16 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.476 0.751 . . . . 0.0 109.407 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.439 ' N ' ' O5 ' ' A' ' 130' ' ' NCZ . . . 164.58 81.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.81 -6.44 18.15 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.5 145.83 41.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 143.37 130.62 2.42 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.501 1.125 . . . . 0.0 111.131 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 4.2 p -106.03 134.61 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.386 0.698 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.79 93.97 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.546 ' O ' ' CB ' ' A' ' 111' ' ' SER . 1.1 tp -102.74 144.98 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.0 t 156.3 -55.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.051 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.464 ' HA ' ' CB ' ' A' ' 11' ' ' SER . 5.5 t80 -170.9 172.7 5.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.451 ' N ' ' HB2' ' A' ' 11' ' ' SER . 1.5 m-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.843 ' H8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.713 ' C ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.86 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -123.3 38.69 0.39 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.86 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 17.9 Cg_endo -75.07 52.92 3.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.433 ' O ' ' HA2' ' A' ' 23' ' ' GLY . 73.5 p 46.66 -124.5 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.49 122.44 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -144.01 146.94 33.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.11 . . . . 0.0 110.384 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.514 HG13 ' CG2' ' A' ' 19' ' ' VAL . 2.3 t -87.62 115.31 27.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.658 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -38.22 -64.35 0.46 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.658 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.03 -155.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.434 1.755 . . . . 0.0 111.031 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.519 ' OG ' ' CD2' ' A' ' 13' ' ' LEU . 95.6 p -104.79 -24.77 12.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.541 1.151 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.509 ' OG ' ' CG2' ' A' ' 69' ' ' VAL . 0.5 OUTLIER 48.92 -179.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.893 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.18 -46.64 3.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.519 ' CD2' ' OG ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -42.96 -34.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.553 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -129.17 116.61 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.94 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.493 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 14.5 p-10 -59.06 78.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.07 . . . . 0.0 109.274 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 128.04 40.5 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.478 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 24.0 m -87.82 121.84 30.73 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.474 0.749 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.01 122.47 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.514 ' CG2' HG13 ' A' ' 7' ' ' VAL . 1.2 m -136.35 175.87 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.359 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -118.44 116.02 25.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.362 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.5 t -90.7 100.18 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.17 124.23 33.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.461 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -103.58 107.2 2.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.35 98.82 8.55 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.495 0.762 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.57 39.98 20.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.495 HD22 ' CD2' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -88.93 -122.04 0.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 109.374 179.938 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.656 ' OE1' ' CD2' ' A' ' 32' ' ' TYR . 14.1 mm100 -38.89 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.582 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 61.9 26.06 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 124.91 -15.43 7.42 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.467 1.104 . . . . 0.0 110.954 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.549 ' CA ' ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -83.46 -166.48 1.39 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 0.816 . . . . 0.0 110.418 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.542 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -150.73 148.69 28.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.637 1.211 . . . . 0.0 109.218 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.656 ' CD2' ' OE1' ' A' ' 27' ' ' GLN . 2.6 m-30 -150.15 -172.19 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -100.71 113.49 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.911 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.494 ' CG2' HG12 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -82.04 139.84 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 -179.956 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.599 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 171.86 160.48 20.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.365 1.041 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.6 OUTLIER -92.04 101.49 14.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.288 -179.927 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.649 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 2.7 t -106.4 153.55 22.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 108.251 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -179.49 159.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.363 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.539 ' CD1' HD23 ' A' ' 45' ' ' LEU . 20.0 m-90 -67.72 112.34 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 108.006 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.575 HG11 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -101.96 -49.8 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.91 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.503 ' OD2' ' CG2' ' A' ' 44' ' ' VAL . 1.1 t70 -91.09 169.32 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.575 ' O ' ' CG2' ' A' ' 42' ' ' THR . 1.5 t -35.25 102.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.474 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.87 26.37 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.503 ' CG2' ' OD2' ' A' ' 41' ' ' ASP . 2.1 t -101.89 122.84 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.577 0.81 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.539 HD23 ' CD1' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -74.73 109.44 8.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.475 ' CB ' HG13 ' A' ' 40' ' ' VAL . . . -121.39 141.69 50.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.403 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.577 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 36.7 m -104.89 158.64 16.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.374 1.046 . . . . 0.0 108.282 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.47 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.9 OUTLIER -82.54 164.97 44.85 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.524 ' HG2' ' CD1' ' A' ' 73' ' ' PHE . 18.1 Cg_endo -75.02 -15.16 20.85 Favored 'Trans proline' 0 C--N 1.362 1.27 0 O-C-N 124.477 1.778 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.47 12.81 31.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 109.213 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.603 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -89.32 11.49 18.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.585 1.178 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -105.75 87.81 2.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.354 1.034 . . . . 0.0 110.947 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 54' ' ' SER . 0.3 OUTLIER -147.64 86.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.904 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -36.76 151.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.043 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.494 HG12 ' CG2' ' A' ' 34' ' ' VAL . 14.7 p -155.06 156.38 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.542 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -146.26 131.0 17.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.382 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.557 ' CB ' ' HB2' ' A' ' 27' ' ' GLN . . . -93.31 122.89 36.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.204 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 61' ' ' GLY . 1.3 m-20 -50.56 165.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.377 1.048 . . . . 0.0 109.3 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.77 -42.29 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.391 1.057 . . . . 0.0 109.318 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -86.75 38.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.2 39.34 3.99 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -94.43 90.25 6.16 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.438 0.728 . . . . 0.0 110.024 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.14 80.34 1.5 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.6 1.188 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -93.96 80.31 4.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.397 1.061 . . . . 0.0 110.004 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.46 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 1.0 OUTLIER -107.99 131.73 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.358 1.036 . . . . 0.0 110.356 -179.941 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 10.8 p -102.36 137.68 40.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.404 ' CD2' ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -154.54 178.21 10.33 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.406 1.066 . . . . 0.0 109.344 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.464 ' CG2' ' HA2' ' A' ' 16' ' ' GLY . 4.4 m -103.85 127.94 51.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.445 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.509 ' CG2' ' OG ' ' A' ' 11' ' ' SER . 25.2 t -88.88 88.89 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.494 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -92.73 95.19 9.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.241 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -62.73 -39.02 92.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.505 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -87.98 130.32 34.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.925 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.524 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 163.44 173.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.394 1.059 . . . . 0.0 110.935 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.573 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 1.1 tp10 -80.76 118.28 22.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.07 161.65 28.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.573 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 2.2 m-85 -135.86 138.35 42.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.492 ' CD1' ' HB2' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -72.1 153.07 41.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.534 ' CD2' ' O5 ' ' A' ' 130' ' ' NCZ . 3.4 t80 -78.71 -22.36 46.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.4 -52.36 65.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.44 -27.83 0.21 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.468 HG23 ' CD2' ' A' ' 77' ' ' LEU . 1.6 t -85.18 174.51 9.6 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.396 0.703 . . . . 0.0 110.352 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.438 ' N ' ' OG1' ' A' ' 81' ' ' THR . 11.2 ptt180 -117.34 150.5 38.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.575 ' CD1' HG11 ' A' ' 40' ' ' VAL . 36.3 t-105 -105.8 -87.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.588 1.18 . . . . 0.0 108.04 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 138.0 -101.73 0.34 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.494 1.121 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.614 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 1.9 m 86.91 -61.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 0.752 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.614 ' CG2' ' O ' ' A' ' 85' ' ' THR . 0.8 OUTLIER 79.36 -18.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.219 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 85' ' ' THR . 0.6 OUTLIER -141.97 104.3 4.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.607 1.192 . . . . 0.0 109.373 179.859 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 39.4 t -89.29 48.58 1.63 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.455 1.097 . . . . 0.0 108.273 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.6 t -91.85 -15.34 28.33 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.8 m -88.08 -53.16 4.86 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.598 1.186 . . . . 0.0 110.411 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -90.86 134.65 34.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -68.57 113.5 6.15 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.418 1.074 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.418 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -86.94 123.05 31.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 108.316 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.514 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 1.3 pt20 -104.98 122.48 45.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.479 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 5.5 t -85.69 112.07 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.44 177.39 37.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.495 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -106.62 126.02 51.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.364 179.898 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.51 ' HB3' ' C8 ' ' A' ' 130' ' ' NCZ . 93.3 p -86.47 155.24 20.61 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.448 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -79.04 159.92 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.0 109.262 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.62 11.29 15.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.391 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.14 -74.07 0.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.389 1.056 . . . . 0.0 109.344 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 159.63 47.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.415 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 15.6 m-80 -121.26 161.85 21.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.272 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.67 98.58 1.08 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 -163.34 0.18 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.452 1.764 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.2 137.03 32.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.349 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -130.59 160.32 23.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.586 1.179 . . . . 0.0 111.065 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.445 HG13 ' CD1' ' A' ' 110' ' ' ILE . 10.8 p -94.93 117.69 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.563 0.802 . . . . 0.0 109.246 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.43 92.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 111' ' ' SER . 1.0 OUTLIER -75.11 161.66 4.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.58 1.175 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.4 OUTLIER 158.63 -72.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.003 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.401 ' CG ' ' N ' ' A' ' 113' ' ' ASN . 12.8 t80 179.29 157.94 0.59 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.401 ' N ' ' CG ' ' A' ' 112' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.544 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.649 ' C6 ' ' CB ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.17 154.94 39.43 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.407 1.067 . . . . 0.0 109.365 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.423 ' C ' ' CG2' ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.97 132.73 15.8 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.396 1.735 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.529 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 0.1 OUTLIER 52.37 177.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.547 ' HA ' ' CA ' ' A' ' 23' ' ' GLY . . . -44.86 132.77 6.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.398 1.061 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.1 p -150.74 144.98 25.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.5 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 2.4 t -82.86 127.67 39.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.524 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -38.47 -57.84 1.75 Allowed Pre-proline 0 C--N 1.328 -0.366 0 O-C-N 124.529 1.143 . . . . 0.0 110.439 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -75.03 -161.61 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.783 . . . . 0.0 110.981 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -141.79 -47.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -68.87 64.61 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.94 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -48.02 -20.42 1.32 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 111' ' ' SER . 3.7 pp -65.93 66.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.391 0.701 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -140.76 123.22 15.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.158 179.954 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 14' ' ' SER . 5.8 p-10 -35.57 93.82 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.445 1.09 . . . . 0.0 109.229 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 42.44 68.83 0.68 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.653 1.22 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.502 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -74.47 123.07 24.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 0.773 . . . . 0.0 110.488 179.867 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -97.1 124.2 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.221 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.5 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 0.4 OUTLIER -149.96 -169.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.889 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -104.25 141.86 35.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.339 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 6' ' ' THR . 59.3 t -118.0 91.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -92.06 131.54 37.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.547 ' CA ' ' HA ' ' A' ' 5' ' ' ALA . . . -128.55 102.68 0.58 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.39 115.12 24.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 0.812 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.66 34.96 29.95 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.422 1.077 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.532 ' CD1' ' N ' ' A' ' 27' ' ' GLN . 1.5 tm? -74.56 -99.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 109.143 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.582 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -83.78 10.94 8.29 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 74.56 -3.19 2.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.398 1.062 . . . . 0.0 109.265 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 124.83 -2.28 8.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.595 1.184 . . . . 0.0 111.011 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.469 ' CB ' ' NE2' ' A' ' 27' ' ' GLN . 2.9 m -61.03 -154.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.42 0.718 . . . . 0.0 110.428 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.577 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -138.68 110.32 7.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.65 1.219 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.582 ' CE2' ' HG2' ' A' ' 27' ' ' GLN . 2.8 m-30 -119.87 -172.81 2.41 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.467 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 94.8 m-20 -111.17 114.58 27.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.516 HG23 ' CG2' ' A' ' 65' ' ' THR . 1.3 t -76.72 137.71 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.407 1.067 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.581 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 177.91 153.39 11.11 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.423 1.077 . . . . 0.0 111.067 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.505 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.09 95.66 9.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 0.0 110.384 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.655 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 6.2 t -105.0 156.88 17.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 108.31 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 176.26 163.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 41.4 p-90 -71.18 117.41 12.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 108.025 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.477 HG23 ' CA ' ' A' ' 85' ' ' THR . 4.4 p -102.54 -48.69 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.203 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.502 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -85.31 -160.21 0.49 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.571 1.169 . . . . 0.0 109.31 -179.9 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.9 m -66.52 80.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.05 10.36 56.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.558 HG12 ' CD1' ' A' ' 78' ' ' PHE . 9.7 t -84.57 111.99 21.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.738 . . . . 0.0 109.379 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mt -67.45 107.73 2.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.258 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.531 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . . . -121.83 143.38 49.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.602 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 4.0 m -109.21 152.03 25.72 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.479 1.112 . . . . 0.0 108.303 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.546 ' ND2' ' N ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -77.91 171.94 11.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.231 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.601 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.03 -12.3 21.45 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 110.949 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.28 18.29 21.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 1.039 ' HD2' ' C8 ' ' A' ' 130' ' ' NCZ . 3.0 t70 -88.34 5.07 43.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -107.89 95.08 5.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.584 1.177 . . . . 0.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 13.6 t -146.62 80.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.971 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 99.6 p -46.42 134.13 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.185 . . . . 0.0 110.049 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.481 ' CG1' HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -159.56 164.94 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 O-C-N 124.448 1.093 . . . . 0.0 109.379 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.577 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -132.65 158.2 42.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.337 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.45 ' O ' ' HA2' ' A' ' 29' ' ' GLY . . . -102.05 151.84 21.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.632 ' O ' ' N ' ' A' ' 61' ' ' GLY . 1.3 m-20 -68.61 162.81 25.1 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.637 1.211 . . . . 0.0 109.216 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.1 -40.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.391 1.057 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -87.24 38.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.53 43.67 3.92 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 74.9 m -105.28 100.64 10.22 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.496 0.762 . . . . 0.0 110.024 179.884 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.65 97.61 8.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.243 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 52.4 p -105.77 76.83 1.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.516 ' CG2' HG23 ' A' ' 34' ' ' VAL . 8.1 t -109.45 139.53 44.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.426 1.079 . . . . 0.0 110.367 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.0 p -89.7 134.03 34.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.04 165.99 26.23 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 109.214 -179.867 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 17' ' ' THR . 13.5 t -105.84 144.33 32.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.397 1.061 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.496 HG11 ' CA ' ' A' ' 12' ' ' GLY . 93.5 t -89.82 85.28 2.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 O-C-N 124.475 1.11 . . . . 0.0 109.162 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.01 75.51 8.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.677 1.236 . . . . 0.0 110.336 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.515 ' CG ' ' CB ' ' A' ' 88' ' ' CYS . 16.6 ttp85 -53.37 -31.0 42.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.334 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.667 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 86.9 p -106.63 129.68 54.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.597 1.186 . . . . 0.0 109.999 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.667 ' CD1' ' O ' ' A' ' 72' ' ' SER . 0.5 OUTLIER 158.92 126.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.382 1.051 . . . . 0.0 110.975 179.857 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.488 ' HA ' ' CG2' ' A' ' 86' ' ' VAL . 0.7 OUTLIER -75.3 113.05 12.22 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -103.9 -148.25 18.83 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.426 1.079 . . . . 0.0 110.97 -179.877 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 7.7 m-85 -126.95 151.11 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.792 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.531 ' HA ' ' CB ' ' A' ' 46' ' ' ALA . 1.8 mt -90.29 171.31 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 79' ' ' ASP . 0.8 OUTLIER -57.51 -29.19 64.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.563 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 7.8 t70 -73.28 -62.66 1.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.429 ' O ' ' CD2' ' A' ' 76' ' ' PHE . . . 166.48 -28.61 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.426 1.079 . . . . 0.0 111.0 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 84.2 m -39.58 154.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 0.772 . . . . 0.0 110.332 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.53 72.28 3.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.066 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.687 ' O ' ' N ' ' A' ' 75' ' ' GLY . 1.9 t90 -112.2 -83.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.66 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 53.06 139.61 0.0 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.425 1.078 . . . . 0.0 110.944 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.639 ' C ' ' O ' ' A' ' 84' ' ' GLY . 1.3 m 14.27 -81.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 0.749 . . . . 0.0 110.444 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.66 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.5 OUTLIER 78.5 -53.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 124.452 1.095 . . . . 0.0 109.234 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.479 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 7.0 t0 -151.43 87.22 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.515 ' CB ' ' CG ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -71.64 57.96 0.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 108.25 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.0 m -93.61 -4.61 50.46 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.453 1.096 . . . . 0.0 110.417 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.1 m -149.75 -44.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.447 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.74 133.34 39.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 109.36 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.29 126.71 32.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.36 125.65 36.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 35.4 mt-30 -98.05 116.46 30.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.505 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 3.4 t -88.95 114.89 27.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.336 1.023 . . . . 0.0 109.259 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.85 170.98 39.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.477 HD23 ' CB ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -105.48 122.0 45.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.348 0.675 . . . . 0.0 109.356 179.938 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.9 p -93.25 163.54 13.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 110.038 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -75.56 159.39 31.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.585 1.178 . . . . 0.0 109.376 179.896 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.15 9.75 14.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.39 -79.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 174.77 45.89 0.05 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -134.61 156.73 48.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 0.732 . . . . 0.0 109.375 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -126.04 111.2 1.4 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.397 1.061 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.83 -165.33 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.47 1.773 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.81 138.03 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -119.76 169.63 13.88 Favored Glycine 0 CA--C 1.528 0.883 0 O-C-N 124.489 1.118 . . . . 0.0 111.078 179.892 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.402 HG23 ' CG2' ' A' ' 6' ' ' THR . 5.4 p -103.97 114.6 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.562 0.801 . . . . 0.0 109.237 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.64 91.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.345 1.028 . . . . 0.0 109.326 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.496 HG13 ' CG2' ' A' ' 7' ' ' VAL . 0.4 OUTLIER -96.65 127.37 48.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.203 -179.907 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.516 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.7 OUTLIER 163.4 -45.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.985 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.492 ' C ' ' CD1' ' A' ' 112' ' ' PHE . 1.4 p90 -151.43 134.53 15.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 0.0 111.099 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.144 -179.841 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 1.039 ' C8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.58 73.85 0.43 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.617 1.198 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -175.92 2.62 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.615 1.85 . . . . 0.0 110.966 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.421 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.4 p 60.44 -158.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 110.38 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.499 ' CB ' HD23 ' A' ' 97' ' ' LEU . . . -66.57 119.31 11.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -141.5 144.82 34.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.452 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 1.7 t -83.53 137.91 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.182 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.45 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.62 -54.08 1.3 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.541 179.872 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.452 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.12 -157.14 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.473 1.776 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.42 ' O ' HG12 ' A' ' 110' ' ' ILE . 60.7 p -145.56 -67.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 -179.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -129.82 -179.55 5.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.058 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 112' ' ' PHE . . . 57.32 52.84 49.18 Favored Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.485 ' HB2' ' HA ' ' A' ' 111' ' ' SER . 28.2 mt -90.41 -178.93 5.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 0.733 . . . . 0.0 109.23 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.5 t -126.53 148.58 49.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 109.925 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -56.5 80.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.546 1.154 . . . . 0.0 109.391 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 117.72 40.84 0.69 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.514 1.133 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 14' ' ' SER . 35.4 m -80.32 107.39 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 0.795 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.1 t -81.76 123.77 38.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.425 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -151.41 178.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.87 137.62 38.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 6' ' ' THR . 21.4 t -115.8 100.36 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.227 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.09 128.9 37.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.421 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -115.49 97.77 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.55 115.89 28.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.431 0.724 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.72 17.16 62.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.045 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -84.53 -147.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 0.736 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.653 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 60.4 mm-40 -46.16 89.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.96 84.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.604 1.19 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 74.91 7.63 81.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.599 1.187 . . . . 0.0 111.053 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.485 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.13 -178.39 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.4 0.706 . . . . 0.0 110.346 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.539 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -139.56 113.5 8.73 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.653 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.5 m-30 -115.76 -171.27 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -109.06 109.27 20.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.522 ' CG2' ' CD2' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -73.92 137.17 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.578 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 175.2 159.41 21.27 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.542 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -96.03 93.41 6.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 0.752 . . . . 0.0 110.291 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.591 ' CB ' ' C5 ' ' A' ' 130' ' ' NCZ . 4.7 t -106.82 164.36 12.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 108.279 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 37' ' ' CYS . . . 161.63 172.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.436 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 19.4 p90 -66.82 102.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 108.04 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 41' ' ' ASP . 2.7 m -85.6 -53.4 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.527 ' N ' ' CG2' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -90.27 -165.14 1.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.909 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.5 m -76.37 94.65 3.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.379 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.59 14.34 72.26 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.627 1.204 . . . . 0.0 111.071 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 8.8 t -104.79 107.98 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.208 -179.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.445 ' CD2' H172 ' A' ' 130' ' ' NCZ . 0.2 OUTLIER -78.82 110.03 13.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.61 1.194 . . . . 0.0 109.367 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.576 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . . . -126.75 166.46 17.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.173 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.614 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 2.4 m -127.25 144.87 50.96 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.463 1.102 . . . . 0.0 108.153 -179.916 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.548 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 1.1 m120 -66.34 169.76 6.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.397 1.061 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.548 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -74.92 -13.18 21.67 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.493 1.786 . . . . 0.0 111.102 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.37 15.88 25.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.097 . . . . 0.0 109.382 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 1.021 ' HD2' ' C7 ' ' A' ' 130' ' ' NCZ . 0.4 OUTLIER -88.06 5.73 39.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -108.19 94.56 5.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 111.054 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.447 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -148.57 84.25 1.48 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.883 -179.952 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.6 p -40.06 124.91 1.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.941 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.465 ' CG2' ' CG2' ' A' ' 65' ' ' THR . 2.2 t -138.46 156.06 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.539 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -139.44 143.55 37.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.429 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.437 ' HB3' ' CB ' ' A' ' 63' ' ' ALA . . . -106.85 142.54 36.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.622 1.201 . . . . 0.0 109.331 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.6 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -58.01 158.8 6.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.37 -30.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 58' ' ' ASP . 1.7 t-20 -88.64 35.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.181 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.62 42.34 3.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.102 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 3.4 m -106.71 97.87 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.958 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.437 ' CB ' ' HB3' ' A' ' 57' ' ' ALA . . . -106.43 88.16 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.369 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.4 p -97.48 75.2 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.076 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.465 ' CG2' ' CG2' ' A' ' 55' ' ' VAL . 28.2 m -108.56 140.01 42.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.397 1.061 . . . . 0.0 110.502 179.907 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.0 p -100.76 137.6 38.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.069 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.446 ' CD1' ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -150.09 174.19 13.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.408 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' THR . 14.6 t -105.95 134.21 49.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.402 ' CG1' ' CD1' ' A' ' 13' ' ' LEU . 35.1 t -88.15 92.54 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -87.81 95.4 10.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 110.335 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.484 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 2.6 ttm180 -64.72 -36.69 85.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -101.26 122.43 43.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.042 179.928 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.516 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 168.73 135.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 49' ' ' PRO . 26.0 tt0 -91.06 108.35 19.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.635 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -97.75 -144.9 17.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.424 1.078 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 9.2 m-85 -135.68 144.19 45.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.576 ' HA ' ' CB ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -93.11 -176.81 4.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -76.0 -23.8 55.25 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.595 1.184 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.88 -34.36 77.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.29 11.98 7.8 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.32 1.013 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 76' ' ' PHE . 1.1 m -89.05 157.61 18.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 110.525 179.855 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 5.6 ptp180 -94.58 74.71 3.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.635 ' O ' ' N ' ' A' ' 75' ' ' GLY . 8.6 t-105 -112.35 -84.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 108.097 179.908 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.713 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 56.47 85.95 0.03 OUTLIER Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.542 1.151 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.522 ' C ' ' CG2' ' A' ' 86' ' ' VAL . 90.0 m 50.93 -74.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.599 0.823 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.713 ' N ' ' O ' ' A' ' 84' ' ' GLY . 2.8 t 87.14 -43.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 89' ' ' THR . 7.9 t0 -155.1 82.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.484 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -68.39 63.12 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 108.261 -179.91 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 87' ' ' ASP . 12.8 t -92.73 -8.29 44.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.432 1.082 . . . . 0.0 110.392 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.7 m -149.84 -45.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.07 143.29 48.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.11 114.07 26.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 0.0 109.215 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.18 128.16 37.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 108.344 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 35.6 mt-30 -97.49 116.72 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.238 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.542 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 2.5 t -88.98 112.56 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.571 1.169 . . . . 0.0 109.24 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -163.85 175.88 39.96 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.6 1.187 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.575 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -106.12 134.72 48.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 83.5 p -106.43 145.22 32.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.929 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.592 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -50.62 163.09 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.639 1.212 . . . . 0.0 109.403 179.942 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.63 -4.52 34.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.638 1.212 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.2 -21.03 19.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.908 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.4 47.74 2.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.426 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 16.5 m-80 -147.58 160.44 42.64 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.509 0.77 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.09 105.49 3.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 111.042 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 52.12 3.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.448 1.762 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.527 ' O ' ' C18' ' A' ' 130' ' ' NCZ . 0.7 OUTLIER -90.75 132.93 35.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.348 179.905 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 151.25 142.42 3.52 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 110' ' ' ILE . 2.4 p -105.14 128.29 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.382 0.695 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.64 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.388 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.628 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -114.29 162.79 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 4.1 t 98.01 -52.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.391 1.057 . . . . 0.0 109.948 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.531 ' O ' ' CB ' ' A' ' 11' ' ' SER . 6.2 t80 -27.71 141.91 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.204 -179.921 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 1.021 ' C7 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.474 ' HB1' ' CB ' ' A' ' 6' ' ' THR . . . -147.76 135.54 10.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.211 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.01 173.9 13.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.471 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 0.5 OUTLIER 43.63 -168.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 110.4 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.535 ' CB ' HD21 ' A' ' 97' ' ' LEU . . . -65.37 116.23 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.907 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.474 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . 0.9 OUTLIER -141.69 145.38 34.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 110.385 -179.935 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.499 HG12 ' CG2' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -88.16 122.72 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.929 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.756 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -37.46 -70.06 0.16 Allowed Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 124.483 1.114 . . . . 0.0 110.455 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.756 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.1 -152.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.601 1.843 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.513 ' O ' ' O ' ' A' ' 11' ' ' SER . 12.3 p -103.16 -32.02 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.963 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.513 ' O ' ' O ' ' A' ' 10' ' ' SER . 0.5 OUTLIER 46.08 -179.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 109.947 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.67 -41.09 3.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -63.29 -20.12 65.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.428 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.544 ' HB3' ' OG1' ' A' ' 17' ' ' THR . 25.3 t -139.54 98.1 3.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 110.06 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.42 ' CG ' ' OG ' ' A' ' 72' ' ' SER . 4.3 p30 -54.92 102.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 109.326 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.466 ' HA2' ' CD ' ' A' ' 70' ' ' ARG . . . 122.44 21.19 2.79 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.585 1.178 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.544 ' OG1' ' HB3' ' A' ' 14' ' ' SER . 88.3 m -80.9 108.26 14.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.574 0.808 . . . . 0.0 110.414 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.78 118.65 22.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 109.286 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.499 ' CG2' HG12 ' A' ' 7' ' ' VAL . 1.3 m -138.72 -178.14 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.431 1.082 . . . . 0.0 109.215 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -113.71 128.83 56.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.344 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -103.79 100.2 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.21 119.64 29.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.471 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -110.31 81.4 0.29 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.47 1.106 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.16 123.85 28.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.436 0.727 . . . . 0.0 109.254 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 50.53 45.19 46.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.4 1.062 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.519 ' CD1' ' CD2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -87.88 -87.55 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.595 ' NE2' ' CD2' ' A' ' 32' ' ' TYR . 33.6 mm-40 -83.02 8.33 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 75.86 -10.48 1.27 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.445 1.09 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.497 ' HA2' ' CB ' ' A' ' 57' ' ' ALA . . . 129.56 -2.6 6.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 27' ' ' GLN . 2.1 m -57.8 -155.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.52 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -135.49 108.93 7.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.595 ' CD2' ' NE2' ' A' ' 27' ' ' GLN . 4.8 m-85 -120.46 164.1 16.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.531 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -88.87 112.97 23.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.416 1.073 . . . . 0.0 109.252 -179.916 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -79.19 140.34 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.424 1.078 . . . . 0.0 109.255 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.6 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 164.72 161.63 14.11 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.556 1.16 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.509 ' NE2' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -93.26 102.18 14.45 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.571 0.806 . . . . 0.0 110.37 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.573 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 4.7 t -108.15 154.61 21.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 108.357 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.513 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -178.62 168.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.214 -179.896 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.449 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 48.4 p90 -77.21 111.13 12.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 107.964 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.633 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -97.28 -47.58 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.604 ' OD1' ' CH2' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -87.53 -172.11 3.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.214 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -55.25 89.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 110.409 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 56.0 20.83 28.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.156 . . . . 0.0 111.079 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 50.7 t -96.62 115.53 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.284 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD2' H172 ' A' ' 130' ' ' NCZ . 0.5 OUTLIER -67.0 107.04 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.382 179.938 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.476 ' CB ' HG11 ' A' ' 40' ' ' VAL . . . -120.47 134.59 55.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.216 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.584 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 19.5 m -95.98 157.65 15.8 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.428 1.08 . . . . 0.0 108.248 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.509 ' CB ' ' NE2' ' A' ' 36' ' ' GLN . 1.3 m-80 -83.86 167.81 25.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.178 -179.873 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.563 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.0 Cg_endo -75.0 -16.15 20.35 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.443 1.76 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.37 12.17 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.358 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.621 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -93.97 15.05 17.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.193 -179.889 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.9 m-85 -108.63 93.98 4.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.489 ' CB ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -149.46 81.86 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.982 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.4 p -55.43 124.61 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.2 p -148.68 158.75 6.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.368 1.043 . . . . 0.0 109.363 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.52 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -123.95 161.57 25.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 179.89 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.497 ' CB ' ' HA2' ' A' ' 29' ' ' GLY . . . -103.87 148.89 25.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.634 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.9 OUTLIER -63.83 161.85 14.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.347 1.029 . . . . 0.0 109.321 179.941 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.92 -35.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -88.56 37.23 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.634 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.35 41.01 2.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 57.3 m -107.34 96.32 6.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.493 ' CB ' ' HB1' ' A' ' 57' ' ' ALA . . . -104.62 90.78 3.61 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.364 1.04 . . . . 0.0 109.209 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.4 p -95.37 83.78 3.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.427 1.079 . . . . 0.0 110.005 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 65' ' ' THR . 14.7 t -108.46 133.93 51.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.639 1.212 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.9 p -101.01 139.51 36.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.948 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.489 HD13 ' CB ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -156.24 176.95 12.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.21 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.461 HG21 ' CG ' ' A' ' 70' ' ' ARG . 9.9 t -105.07 133.62 49.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.403 HG12 ' CG2' ' A' ' 110' ' ' ILE . 80.3 t -90.07 85.75 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.229 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.466 ' CD ' ' HA2' ' A' ' 16' ' ' GLY . 11.9 mmt180 -93.79 78.57 4.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 110.218 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -48.65 -37.85 19.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.411 1.069 . . . . 0.0 110.345 179.797 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 78.5 p -86.33 130.12 34.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.085 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.537 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 162.14 171.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.641 1.213 . . . . 0.0 111.0 -179.931 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.604 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 7.8 tt0 -80.79 114.16 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.07 168.16 38.67 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.604 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 4.6 m-85 -141.05 129.95 23.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 0.715 . . . . 0.0 110.948 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.452 ' CD1' ' HB1' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -61.19 156.74 17.68 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.91 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 78' ' ' PHE . 3.2 t80 -82.48 -20.11 37.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.621 1.201 . . . . 0.0 110.966 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.34 -51.89 66.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.54 -27.05 0.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 2.3 t -84.6 161.37 20.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 0.801 . . . . 0.0 110.428 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.94 150.7 23.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 110.222 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.633 ' CD1' HG12 ' A' ' 40' ' ' VAL . 56.9 t-105 -106.14 -87.22 0.47 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.488 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 134.69 -83.64 0.28 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 2.4 m 68.14 -60.53 0.41 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.768 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 85' ' ' THR . 16.3 t 78.18 -18.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 85' ' ' THR . 0.5 OUTLIER -139.73 99.7 3.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 93' ' ' CYS . 43.0 t -91.14 40.4 1.03 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.511 1.132 . . . . 0.0 108.199 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.3 t -88.59 -12.87 41.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.375 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.8 m -89.13 -50.06 6.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.458 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.34 135.55 33.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.9 110.2 3.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.513 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -89.06 124.21 34.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 108.35 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 37' ' ' CYS . 4.2 pt20 -104.79 121.96 44.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 1.5 t -89.18 113.06 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -162.38 175.18 38.85 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.411 1.069 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.535 HD21 ' CB ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -106.8 125.91 51.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.378 0.693 . . . . 0.0 109.262 -179.936 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.508 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 29.0 t -104.35 168.33 9.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.163 . . . . 0.0 109.951 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.536 ' OD1' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -100.08 161.35 13.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.399 179.921 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.05 20.28 4.39 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.658 1.224 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.84 -36.83 6.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.379 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.81 53.4 0.81 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.592 1.183 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 105' ' ' PRO . 7.2 m120 -115.12 136.87 52.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.368 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -32.3 93.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.598 1.186 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.52 ' HG2' ' C1 ' ' A' ' 130' ' ' NCZ . 18.2 Cg_endo -74.98 133.03 16.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.09 147.69 23.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.283 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -157.62 165.0 33.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.072 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 7.5 p -95.99 127.01 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 109.419 179.847 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.42 91.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.597 1.185 . . . . 0.0 109.213 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.431 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.8 OUTLIER -75.01 154.42 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.373 179.886 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.496 ' O ' ' O ' ' A' ' 11' ' ' SER . 0.4 OUTLIER 165.02 -77.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.47 ' CG ' ' N ' ' A' ' 113' ' ' ASN . 1.9 t80 -164.11 162.58 23.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.47 ' N ' ' CG ' ' A' ' 112' ' ' PHE . 1.1 t-20 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.584 ' C9 ' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.32 149.19 72.64 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.675 1.234 . . . . 0.0 109.245 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 165.66 30.83 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.534 1.808 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.456 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.0 OUTLIER 43.84 -166.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 110.368 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 22' ' ' ALA . . . -70.46 119.64 14.92 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.45 145.83 37.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 -179.853 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.471 ' CG1' HD12 ' A' ' 110' ' ' ILE . 3.2 t -88.88 112.01 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 109.336 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.684 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -49.48 -66.3 0.64 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 -179.933 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.684 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.99 59.72 5.26 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.552 1.817 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 111' ' ' SER . 11.1 p -89.53 28.32 1.31 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.379 1.049 . . . . 0.0 109.973 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 12' ' ' GLY . 26.2 t -114.63 133.6 55.71 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.59 1.181 . . . . 0.0 109.925 -179.874 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 11' ' ' SER . . . 32.78 53.82 0.49 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.535 ' CD2' ' HA ' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -44.74 161.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 109.257 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -128.87 147.82 50.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 110.102 179.933 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.894 ' HD2' ' CZ ' ' A' ' 71' ' ' ARG . 5.0 m-20 -50.79 89.72 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.632 1.208 . . . . 0.0 109.228 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 91.84 50.71 2.62 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.441 HG21 ' CG1' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -90.93 125.66 35.83 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.574 0.809 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -73.23 104.2 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.501 ' HB ' ' HD2' ' A' ' 9' ' ' PRO . 3.8 m -111.93 169.06 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.605 1.191 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.26 115.9 25.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.3 t -89.87 94.28 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -88.66 117.83 27.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.322 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.456 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -99.81 113.99 4.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.448 1.093 . . . . 0.0 111.066 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.88 103.4 13.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 0.816 . . . . 0.0 109.237 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.3 34.23 89.36 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' A' ' 28' ' ' ALA . 7.7 tp -77.29 -110.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 0.786 . . . . 0.0 109.266 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.603 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -45.05 -24.61 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.507 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 63.88 24.53 13.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.907 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 119.1 -10.36 11.89 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.617 1.198 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.465 ' CA ' ' HB3' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -84.14 -161.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 0.804 . . . . 0.0 110.3 -179.901 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.594 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -148.34 153.31 38.44 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.603 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 12.9 m-85 -150.74 -169.99 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.462 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -108.46 107.22 17.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.156 -179.955 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.441 HG12 ' CB ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -76.04 141.25 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.226 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.572 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 175.36 156.05 13.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.922 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.541 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.13 95.03 9.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.315 -179.914 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.655 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 4.6 t -105.43 156.9 17.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 108.266 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 175.1 163.84 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.37 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.6 p90 -71.85 116.39 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 108.079 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.457 HG21 ' CA ' ' A' ' 85' ' ' THR . 8.5 p -100.31 -49.1 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.525 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -82.4 -159.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.919 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.4 m -79.01 88.2 4.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.39 23.02 75.07 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.525 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 4.0 t -106.21 111.3 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.784 . . . . 0.0 109.276 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.421 HD22 ' C17' ' A' ' 130' ' ' NCZ . 3.1 mt -71.87 109.77 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.502 ' HB3' ' CD2' ' A' ' 77' ' ' LEU . . . -124.65 144.92 49.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.598 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 3.5 m -110.51 151.59 27.39 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.443 1.089 . . . . 0.0 108.307 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.489 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -77.49 171.22 13.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.596 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.9 -12.46 21.74 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.554 1.818 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.6 16.18 25.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 1.042 ' HD2' ' C8 ' ' A' ' 130' ' ' NCZ . 1.7 t70 -87.36 6.66 32.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.596 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -108.57 94.89 5.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 -179.946 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.441 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -150.97 84.14 1.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 p -40.69 131.07 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 0.0 109.959 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 p -127.04 162.22 32.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.411 ' OG1' ' HB1' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -145.78 134.58 22.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 27' ' ' GLN . . . -106.39 135.65 47.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.339 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -60.44 161.41 7.47 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.615 1.197 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.22 -35.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -88.19 37.03 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.19 36.94 2.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.466 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 0.7 OUTLIER -94.97 92.72 7.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 0.796 . . . . 0.0 109.954 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.42 ' HB3' ' CB ' ' A' ' 57' ' ' ALA . . . -105.88 78.3 1.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 4.0 p -94.91 75.9 3.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.613 1.196 . . . . 0.0 110.095 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -109.24 131.0 55.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 110.393 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.9 p -95.3 142.88 27.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.388 1.055 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.401 HD22 ' CG1' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -146.32 179.92 7.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.2 m -104.63 129.24 52.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.328 1.018 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.485 ' CG2' HG11 ' A' ' 19' ' ' VAL . 9.9 t -88.1 90.38 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.356 1.035 . . . . 0.0 109.392 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.459 ' HD2' ' CE2' ' A' ' 73' ' ' PHE . 10.2 mmt180 -89.3 118.38 28.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.894 ' CZ ' ' HD2' ' A' ' 15' ' ' ASP . 9.9 ttp180 -87.25 -32.59 19.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 83.2 p -103.42 121.0 41.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.896 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.473 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 165.49 128.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.891 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 83' ' ' TRP . 0.8 OUTLIER -74.76 115.09 13.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.626 1.204 . . . . 0.0 110.244 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.714 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -100.38 -153.49 26.95 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.491 ' CZ ' ' HG3' ' A' ' 82' ' ' ARG . 70.3 m-85 -127.5 146.27 50.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.353 0.678 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.502 ' CD2' ' HB3' ' A' ' 46' ' ' ALA . 5.2 mt -88.64 179.93 6.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.608 1.192 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -71.76 -22.63 61.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.77 -62.39 1.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.42 -24.72 0.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.482 ' CG2' HD11 ' A' ' 77' ' ' LEU . 2.1 t -52.01 155.81 1.74 Allowed 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.417 0.716 . . . . 0.0 110.424 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 2.0 ttt180 -95.42 78.6 3.41 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.502 1.126 . . . . 0.0 110.363 179.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.714 ' O ' ' N ' ' A' ' 75' ' ' GLY . 4.0 t-105 -114.06 -84.81 0.6 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.655 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 51.19 144.21 0.0 OUTLIER Glycine 0 CA--C 1.532 1.126 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.655 ' C ' ' O ' ' A' ' 84' ' ' GLY . 1.3 m 12.25 -83.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.592 0.819 . . . . 0.0 110.431 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.61 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.5 OUTLIER 81.74 -50.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.193 . . . . 0.0 109.31 -179.926 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 89' ' ' THR . 8.4 t0 -151.49 80.79 1.29 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.366 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -69.66 60.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 108.39 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 87' ' ' ASP . 7.5 t -94.57 -5.99 44.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.5 m -150.98 -44.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.52 138.33 58.35 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.418 1.073 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.36 117.91 24.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.456 ' O ' ' CG2' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -90.93 129.06 36.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.392 1.057 . . . . 0.0 108.245 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 25.2 mt-30 -101.17 115.68 31.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.541 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 4.4 t -87.61 105.71 15.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.372 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -154.29 176.02 32.28 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.489 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -106.22 147.53 28.98 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.499 0.764 . . . . 0.0 109.254 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.14 143.13 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.13 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.576 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -81.82 159.66 23.71 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 0.0 109.202 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.85 -12.38 59.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.381 1.051 . . . . 0.0 109.198 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.48 -13.15 32.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.96 47.03 40.79 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.454 1.097 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 105' ' ' PRO . 85.9 m-20 -104.92 147.17 28.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 0.743 . . . . 0.0 109.198 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -35.58 96.63 0.01 OUTLIER Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.0 Cg_endo -75.1 150.13 37.29 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.341 1.706 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.3 107.16 18.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -103.22 151.25 17.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.432 ' CG1' ' HB ' ' A' ' 95' ' ' VAL . 9.0 p -101.38 116.67 45.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.78 92.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 112' ' ' PHE . 3.8 tt -71.34 148.38 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 10' ' ' SER . 9.3 m -64.92 69.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 39.0 p90 -40.34 125.44 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.322 -179.971 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 1.042 ' C8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 1' ' ' ALA . . . 77.84 70.98 0.19 Allowed Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.85 -179.15 4.66 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.473 1.775 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.49 ' HB ' ' CD2' ' A' ' 26' ' ' LEU . 2.0 p 57.47 -166.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.55 1.157 . . . . 0.0 110.34 179.829 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.467 ' HA ' ' CA ' ' A' ' 23' ' ' GLY . . . -53.06 120.26 5.68 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.605 1.191 . . . . 0.0 109.337 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -143.89 144.28 31.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 0.0 110.412 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.577 ' CG2' ' CG2' ' A' ' 19' ' ' VAL . 2.9 p -107.58 137.17 40.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.597 1.185 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.574 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -32.08 -60.17 0.35 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 110.331 -179.875 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.603 ' CD ' ' CG2' ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.01 148.64 35.51 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 p -128.95 -53.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 110.032 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.488 ' HB2' ' N ' ' A' ' 113' ' ' ASN . 13.2 t -125.36 163.8 21.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.18 35.16 68.92 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.546 1.154 . . . . 0.0 111.071 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.517 ' C ' ' CD1' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -66.75 173.36 3.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.748 . . . . 0.0 109.374 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.599 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -124.65 139.06 54.21 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.536 1.148 . . . . 0.0 109.93 -179.865 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.36 78.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.593 1.183 . . . . 0.0 109.43 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 124.64 38.46 0.51 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.3 m -88.26 103.36 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 0.711 . . . . 0.0 110.375 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.518 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.6 p -89.73 129.56 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.603 ' CG2' ' CD ' ' A' ' 9' ' ' PRO . 12.2 m -152.8 -159.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -112.15 140.14 47.09 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.381 1.051 . . . . 0.0 109.348 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 6' ' ' THR . 25.6 t -111.93 96.33 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.217 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -91.16 123.74 34.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.467 ' CA ' ' HA ' ' A' ' 5' ' ' ALA . . . -120.02 92.78 0.53 Allowed Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.39 111.98 23.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 0.738 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.99 12.49 20.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -98.17 -143.45 0.31 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 0.0 109.252 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.625 ' CD ' ' CE2' ' A' ' 32' ' ' TYR . 1.6 mm100 -40.84 89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -61.32 82.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 77.05 11.48 85.53 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.656 1.222 . . . . 0.0 111.101 -179.891 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.517 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -90.47 -175.65 4.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.611 0.83 . . . . 0.0 110.373 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.49 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -135.8 107.84 7.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 0.0 109.372 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.625 ' CE2' ' CD ' ' A' ' 27' ' ' GLN . 3.8 m-30 -117.39 -169.26 1.63 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -121.35 118.53 29.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' A' ' 97' ' ' LEU . 1.9 t -78.61 140.12 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.556 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 176.32 156.67 15.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -93.79 104.41 16.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 0.787 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.606 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 1.6 t -106.34 147.48 29.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.413 1.071 . . . . 0.0 108.266 -179.905 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -168.04 156.76 9.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.7 p-90 -68.79 104.95 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.654 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -88.32 -45.31 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.468 ' CB ' ' HB ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -90.12 -162.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.394 1.059 . . . . 0.0 109.401 179.917 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -66.46 79.83 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.56 24.58 75.22 Favored Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.404 1.065 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 86.3 t -101.56 106.81 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.631 0.842 . . . . 0.0 109.283 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 ' CD2' H172 ' A' ' 130' ' ' NCZ . 2.9 mt -58.4 96.73 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.476 ' CB ' ' HB ' ' A' ' 40' ' ' VAL . . . -104.1 135.85 44.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.165 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.635 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 4.0 m -108.54 149.37 28.94 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 108.193 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.564 ' OD1' ' CG ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -85.63 174.3 5.84 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.558 1.161 . . . . 0.0 109.225 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.532 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.11 -14.23 20.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.26 8.66 44.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.889 ' HD2' ' C7 ' ' A' ' 130' ' ' NCZ . 0.6 OUTLIER -89.26 11.53 18.63 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.7 m-85 -106.64 96.63 6.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.1 t -138.83 70.71 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.008 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -51.93 118.28 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.524 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 1.2 p -152.73 165.13 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.49 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -123.89 154.37 39.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.472 ' HB1' ' CB ' ' A' ' 63' ' ' ALA . . . -106.56 148.49 28.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -64.18 159.59 20.26 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.508 1.13 . . . . 0.0 109.185 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.04 -30.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.244 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.4 t-20 -89.23 35.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.596 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.14 42.76 4.3 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 14.9 m -109.31 97.81 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.353 0.678 . . . . 0.0 109.993 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.472 ' CB ' ' HB1' ' A' ' 57' ' ' ALA . . . -105.24 102.23 11.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.367 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 5.5 p -104.53 81.21 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.019 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.524 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 7.1 t -108.29 135.05 50.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 79.3 p -91.53 142.88 27.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.944 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.08 177.1 10.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.518 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 42.1 m -106.9 124.98 50.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 110.464 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.461 ' CG1' HD23 ' A' ' 13' ' ' LEU . 82.5 t -87.83 85.82 2.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.126 . . . . 0.0 109.236 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.691 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 57.8 mtt-85 -100.32 75.75 1.82 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.498 1.124 . . . . 0.0 110.169 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' ARG . 7.3 ttm180 -36.17 -31.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.89 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 2.9 m -93.11 117.4 30.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.033 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.691 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -165.93 165.7 17.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 111.049 -179.92 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.55 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 2.0 tp10 -90.97 90.56 7.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -54.07 162.11 3.71 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.496 1.123 . . . . 0.0 111.069 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.663 ' CD2' ' CB ' ' A' ' 82' ' ' ARG . 60.2 m-85 -141.72 131.15 23.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.623 0.837 . . . . 0.0 111.023 -179.828 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 83' ' ' TRP . 3.6 mp -66.33 142.15 57.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.375 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -65.29 -22.98 66.91 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -55.5 33.24 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 179.902 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.43 -28.75 0.22 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.494 1.121 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.5 t -81.94 161.71 22.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 110.355 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.663 ' CB ' ' CD2' ' A' ' 76' ' ' PHE . 22.1 ptt180 -104.75 145.01 30.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.411 179.903 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.654 ' CD1' HG13 ' A' ' 40' ' ' VAL . 32.3 t-105 -106.6 -86.33 0.49 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.649 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 140.57 -98.85 0.24 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.61 1.194 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.649 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 61.2 m 84.81 -49.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.612 0.831 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 72' ' ' SER . 96.0 t 71.22 -103.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.59 105.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -89.03 79.07 7.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 108.353 179.939 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.7 t -106.85 -32.43 7.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 110.433 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.3 m -89.11 -58.44 2.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -70.87 103.24 2.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.424 1.078 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.03 102.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.405 1.066 . . . . 0.0 109.267 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.482 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 5.0 m -83.92 126.78 33.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 108.355 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.528 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 27.6 mt-30 -105.56 117.18 33.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.575 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 1.5 t -87.0 119.84 35.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -164.35 174.4 40.41 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.436 ' HB2' ' CB ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -96.63 122.33 39.44 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.56 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 97.9 p -101.46 167.32 10.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.593 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -76.38 160.15 29.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.84 1.69 53.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.369 1.043 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.53 -73.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.22 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.38 40.43 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -128.03 148.43 50.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.77 . . . . 0.0 109.356 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.07 108.42 1.54 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.791 . . . . 0.0 111.042 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.98 143.36 35.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -134.71 171.91 22.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 3.4 p -95.0 105.1 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.558 0.799 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.02 81.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.245 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.573 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.5 OUTLIER -75.85 145.15 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.588 1.18 . . . . 0.0 109.246 -179.93 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.573 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.4 p 152.56 -75.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.044 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 34.1 p90 -158.81 168.17 27.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.068 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.488 ' N ' ' HB2' ' A' ' 11' ' ' SER . 48.8 t-20 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.889 ' C7 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.601 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -140.26 55.11 5.85 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.601 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.6 Cg_endo -74.96 54.27 3.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.513 1.796 . . . . 0.0 111.102 179.865 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.473 ' HB ' ' CD2' ' A' ' 26' ' ' LEU . 29.2 p 41.83 -124.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.37 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.444 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -90.45 119.52 30.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.219 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.5 OUTLIER -146.08 144.7 30.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.6 1.188 . . . . 0.0 110.366 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.593 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 1.4 t -76.7 142.42 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.463 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.34 -54.0 1.2 Allowed Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.611 1.194 . . . . 0.0 110.489 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.08 -164.25 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -151.34 -61.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.517 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 43.7 t -133.78 162.15 32.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.621 1.2 . . . . 0.0 110.099 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.14 25.38 59.69 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 111.083 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.487 ' CD1' HG13 ' A' ' 110' ' ' ILE . 2.4 mp -77.25 175.65 9.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.43 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.4 t -132.56 159.39 39.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.052 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 7.1 t70 -65.94 60.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.593 1.183 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 158.59 32.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.1 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.412 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 16.0 m -91.51 102.32 14.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 110.434 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.525 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 7.5 p -102.89 129.48 54.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.593 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 35.4 m -151.82 -156.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 3.2 pttm -114.98 133.65 55.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.908 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.4 t -107.09 114.08 45.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.84 135.56 33.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.379 1.049 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -107.96 79.75 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.453 ' CB ' ' HA ' ' A' ' 2' ' ' ALA . . . -76.18 92.82 3.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 0.75 . . . . 0.0 109.178 -179.907 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.36 34.14 7.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.459 1.099 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.496 ' CD1' ' OE1' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -85.39 -144.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.641 ' CD ' ' CE2' ' A' ' 32' ' ' TYR . 1.6 mp0 -66.37 79.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.303 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.433 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . . . -59.37 91.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.05 -18.74 56.67 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.397 1.061 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.514 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.8 -179.53 5.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 0.784 . . . . 0.0 110.353 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.481 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -162.69 120.29 2.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.354 1.034 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE2' ' CD ' ' A' ' 27' ' ' GLN . 17.3 m-30 -118.32 -146.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 12.0 t70 -122.03 120.6 34.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.328 1.017 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.482 HG21 ' CG2' ' A' ' 55' ' ' VAL . 1.2 t -90.14 146.5 6.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.148 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.565 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 173.03 160.65 22.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.09 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.518 ' CG ' ' O ' ' A' ' 36' ' ' GLN . 1.9 pt20 -93.18 100.56 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 0.809 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.513 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 3.3 t -106.69 148.92 27.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 108.338 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -176.86 164.54 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.535 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 2.1 m95 -68.63 118.29 11.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 108.038 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.639 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -105.38 -42.92 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.615 ' OD1' ' CZ3' ' A' ' 83' ' ' TRP . 5.9 t0 -79.91 -156.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.612 1.195 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -90.77 72.13 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.405 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.69 5.3 61.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.522 ' CG1' HD23 ' A' ' 77' ' ' LEU . 2.3 t -101.22 124.07 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 0.724 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.51 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -72.26 119.36 16.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.569 ' CB ' HD21 ' A' ' 77' ' ' LEU . . . -124.79 132.21 53.37 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.592 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 56.3 m -95.86 156.95 16.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 108.261 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.568 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.9 OUTLIER -84.33 162.84 50.02 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.912 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.548 ' CD ' ' HB3' ' A' ' 73' ' ' PHE . 18.5 Cg_endo -75.04 -14.35 21.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.407 ' O ' HD11 ' A' ' 67' ' ' LEU . . . -105.09 13.41 30.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 1.032 ' HD2' ' C8 ' ' A' ' 130' ' ' NCZ . 0.0 OUTLIER -88.92 13.33 13.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.619 1.199 . . . . 0.0 109.269 -179.967 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -106.78 93.22 4.45 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.502 ' CB ' ' HG ' ' A' ' 67' ' ' LEU . 13.7 t -150.44 88.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.957 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' SER . 85.1 p -36.55 124.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 110.087 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.482 ' CG2' HG21 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -111.87 140.06 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.825 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.481 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 5.6 m -132.95 125.9 30.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -106.74 123.13 47.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.158 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -56.64 157.16 5.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.908 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.97 -26.2 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.612 1.195 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.443 ' N ' ' C ' ' A' ' 58' ' ' ASP . 43.2 t30 -87.92 32.14 0.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 0.0 109.38 179.86 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.52 43.76 6.36 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.411 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 19.9 m -114.57 98.61 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 0.768 . . . . 0.0 109.953 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.467 ' CB ' ' HB1' ' A' ' 57' ' ' ALA . . . -106.94 85.76 2.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.67 1.231 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.6 p -93.28 77.22 4.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.068 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.469 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 26.3 m -107.96 131.31 54.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 110.427 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 26.8 p -101.04 148.55 24.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.934 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.502 ' HG ' ' CB ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -160.64 176.5 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.178 . . . . 0.0 109.351 179.925 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 7.8 t -98.09 124.96 42.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.485 ' CG1' HG12 ' A' ' 110' ' ' ILE . 6.6 t -88.35 88.53 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.92 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -102.38 131.48 48.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.549 ' HD3' ' CG ' ' A' ' 112' ' ' PHE . 27.1 ttp85 -92.52 -41.22 10.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.24 -179.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.532 ' O ' ' CG ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -80.71 131.53 35.46 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.548 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 161.62 170.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.536 1.147 . . . . 0.0 110.915 180.0 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -83.93 131.54 34.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.16 157.05 38.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 111.082 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.422 ' HA ' ' O ' ' A' ' 81' ' ' THR . 6.0 m-85 -123.12 97.44 5.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.569 HD21 ' CB ' ' A' ' 46' ' ' ALA . 60.3 mt -79.04 173.42 12.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 109.226 -179.909 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -89.13 -33.43 17.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 111.057 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.8 -21.7 17.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.338 1.024 . . . . 0.0 109.22 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.564 ' O ' ' C ' ' A' ' 81' ' ' THR . . . -147.87 59.01 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.898 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.594 ' O ' ' N ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -23.86 -92.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.622 0.836 . . . . 0.0 110.394 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.494 ' N ' ' OG1' ' A' ' 81' ' ' THR . 4.7 ttt180 -52.22 81.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.639 ' CD1' HG12 ' A' ' 40' ' ' VAL . 24.6 t-105 -83.56 -87.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 167.37 -129.86 1.99 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.548 1.155 . . . . 0.0 111.065 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.571 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 2.2 m 87.64 -76.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.614 0.832 . . . . 0.0 110.352 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.44 ' O ' ' HB2' ' A' ' 72' ' ' SER . 5.8 t 73.54 -7.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.543 ' HD2' HH12 ' A' ' 71' ' ' ARG . 1.1 t70 -145.53 105.27 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.428 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 39.6 t -91.0 41.46 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 108.301 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.453 ' CA ' ' HD2' ' A' ' 71' ' ' ARG . 9.9 t -86.22 -17.51 34.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.247 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.8 m -87.98 -52.85 5.04 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.563 1.164 . . . . 0.0 110.353 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.75 149.64 21.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 109.427 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.07 117.27 22.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.367 -179.915 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.418 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -84.04 122.97 29.52 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.461 1.101 . . . . 0.0 108.238 -179.941 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 8.6 mt-30 -100.81 117.85 35.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.233 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.492 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 4.3 t -87.15 109.84 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.379 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.56 -178.03 35.14 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.415 1.072 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.481 ' CG ' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -106.25 149.01 27.28 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.474 ' OG ' ' C5 ' ' A' ' 130' ' ' NCZ . 8.1 m -105.18 130.79 53.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 103' ' ' ASN . 0.1 OUTLIER -66.0 161.32 21.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.197 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.58 0.84 55.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -104.31 -14.16 15.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.323 179.874 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.6 56.6 4.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.074 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.43 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 75.5 m-80 -117.88 144.71 45.19 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.641 0.848 . . . . 0.0 109.235 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.21 96.54 0.01 OUTLIER Glycine 0 CA--C 1.532 1.129 0 O-C-N 124.579 1.174 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.503 ' HG2' ' C2 ' ' A' ' 130' ' ' NCZ . 18.2 Cg_endo -75.03 153.62 41.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.66 1.874 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.79 108.49 19.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 0.0 110.342 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -111.07 155.12 16.3 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.449 ' CG1' ' HB ' ' A' ' 95' ' ' VAL . 12.0 p -103.13 119.26 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 124.454 0.737 . . . . 0.0 109.441 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.28 90.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.838 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.487 HG13 ' CD1' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -71.06 116.74 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.348 179.932 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.517 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -77.9 65.29 3.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 110.111 179.943 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.549 ' CG ' ' HD3' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -48.21 179.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 111.051 -179.903 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 40.9 t30 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.967 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 1.032 ' C8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.57 115.04 5.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 92.22 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.547 1.814 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.429 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.5 p 52.62 -173.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.645 1.215 . . . . 0.0 110.387 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.421 ' HA ' ' CA ' ' A' ' 23' ' ' GLY . . . -53.38 115.52 1.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.434 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -132.78 146.05 51.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.474 179.965 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.52 HG12 ' HB ' ' A' ' 19' ' ' VAL . 2.3 t -98.19 113.54 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.369 1.043 . . . . 0.0 109.377 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.743 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -51.42 -69.75 0.29 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.389 -179.932 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.743 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.97 55.72 4.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.591 1.837 . . . . 0.0 111.072 179.936 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.7 p -87.85 16.58 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.055 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 112' ' ' PHE . 22.3 p -114.11 137.4 51.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 13' ' ' LEU . . . 47.66 45.14 23.92 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.48 ' C ' ' CD1' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -43.82 169.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 0.783 . . . . 0.0 109.238 -179.928 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -141.79 144.8 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.945 179.988 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -42.67 93.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 179.903 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 79.18 56.56 3.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.069 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.507 HG22 ' CG1' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -90.33 119.95 31.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 110.447 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 t -73.48 100.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.573 ' HB ' ' HD2' ' A' ' 9' ' ' PRO . 5.2 m -106.97 177.63 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.087 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -117.16 115.69 25.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.407 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.5 t -89.53 91.43 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -88.71 109.36 20.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.382 1.051 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -110.06 132.88 11.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.565 1.165 . . . . 0.0 111.047 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.8 104.47 5.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 0.794 . . . . 0.0 109.392 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 92.41 32.83 7.94 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.515 1.135 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' ALA . 21.1 tp -99.98 -104.18 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.631 0.842 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.498 ' HB2' ' CB ' ' A' ' 57' ' ' ALA . 1.0 OUTLIER -42.31 -23.94 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.523 1.14 . . . . 0.0 110.247 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . 67.53 21.28 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 106.45 -0.12 37.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 0.0 111.029 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -90.96 -162.7 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 0.726 . . . . 0.0 110.289 -179.865 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.583 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -135.19 145.08 47.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.594 ' CE1' ' HA ' ' A' ' 99' ' ' ASP . 6.8 m-85 -152.43 -165.79 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -118.69 121.66 40.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.548 ' CG2' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -85.6 141.52 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.674 1.234 . . . . 0.0 109.283 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.54 ' HA3' ' CB ' ' A' ' 51' ' ' ASP . . . -174.07 153.04 15.92 Favored Glycine 0 CA--C 1.532 1.139 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.682 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -91.31 71.7 6.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.683 0.873 . . . . 0.0 110.297 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.617 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 11.6 t -82.06 151.83 26.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.398 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -177.83 161.47 1.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 0.0 109.225 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 45' ' ' LEU . 46.3 p-90 -70.23 110.62 5.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.487 1.117 . . . . 0.0 108.0 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.575 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -100.34 -47.91 11.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.488 1.117 . . . . 0.0 109.402 179.919 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -80.77 -166.67 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.964 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -61.9 77.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 67.2 25.29 73.51 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 49.3 t -102.1 114.18 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.457 0.739 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -63.11 97.21 0.11 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.96 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' CB ' HG11 ' A' ' 40' ' ' VAL . . . -106.94 134.69 49.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.604 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 2.1 m -108.42 147.42 31.64 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.511 1.132 . . . . 0.0 108.251 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.638 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -79.67 163.46 58.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.518 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.5 Cg_endo -75.04 -14.55 21.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.3 7.9 45.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.373 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.814 ' HD2' ' C8 ' ' A' ' 130' ' ' NCZ . 0.0 OUTLIER -88.65 15.06 8.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.912 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 14.4 m-85 -108.01 90.69 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.496 ' CB ' HG13 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -138.76 82.6 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.1 p -43.77 126.52 4.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 110.068 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.506 ' HB ' ' CD2' ' A' ' 97' ' ' LEU . 2.0 t -143.64 163.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.391 1.057 . . . . 0.0 109.359 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.564 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -140.3 151.55 45.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.449 179.973 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.498 ' CB ' ' HB2' ' A' ' 27' ' ' GLN . . . -106.82 147.77 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.073 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -62.67 159.82 15.39 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.45 -32.77 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.4 t30 -89.11 35.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.204 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.67 36.53 1.68 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.582 1.176 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 69.3 m -103.1 97.95 7.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 0.0 109.969 -179.926 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.17 88.83 2.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.551 1.157 . . . . 0.0 109.219 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 4.7 p -98.74 76.58 2.2 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.494 ' CB ' HG23 ' A' ' 55' ' ' VAL . 20.9 p -111.34 145.95 37.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.5 p -96.52 148.79 22.46 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.441 1.088 . . . . 0.0 109.939 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.61 160.21 43.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.344 179.899 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.0 t -95.72 129.18 43.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.138 . . . . 0.0 110.432 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.499 ' CG1' HD13 ' A' ' 110' ' ' ILE . 60.5 t -86.78 88.99 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.59 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 12.0 mtp180 -88.15 63.67 7.35 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 70' ' ' ARG . 25.1 ttp180 -31.57 -40.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 179.922 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 31.2 p -86.16 108.9 18.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.149 . . . . 0.0 109.938 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.638 ' CE2' ' OD1' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -157.0 165.47 36.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 179.93 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -95.48 82.51 3.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.225 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -46.13 158.02 0.37 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.464 1.102 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.505 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -136.43 123.56 21.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 110.99 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.472 HD12 ' CG2' ' A' ' 81' ' ' THR . 2.5 mp -57.36 151.63 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.382 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -26.6 62.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -55.34 -50.9 68.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.919 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.68 -28.77 0.55 Allowed Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.945 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.472 ' CG2' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -80.87 147.59 30.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 110.452 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.86 145.0 27.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.355 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.575 ' CD1' HG12 ' A' ' 40' ' ' VAL . 57.6 t-105 -105.11 -86.76 0.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.022 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.609 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 144.07 -106.86 0.43 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.609 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 6.6 m 90.38 -52.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 0.819 . . . . 0.0 110.459 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 72' ' ' SER . 89.2 t 68.74 -104.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -62.66 97.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.61 1.193 . . . . 0.0 109.248 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 8.8 t -79.94 64.59 4.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.3 t -103.66 -22.17 13.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -89.2 -51.0 5.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 110.343 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -89.54 150.98 22.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -90.43 120.83 31.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.632 1.207 . . . . 0.0 109.241 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.21 122.2 33.63 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.545 1.153 . . . . 0.0 108.262 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.537 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 33.9 mt-30 -97.97 108.63 21.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.137 . . . . 0.0 110.232 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.682 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 1.3 t -90.05 128.19 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.229 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.513 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . 178.2 171.88 42.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.394 1.059 . . . . 0.0 110.989 179.91 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.548 ' HG ' ' CG2' ' A' ' 34' ' ' VAL . 0.8 OUTLIER -94.23 128.67 40.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 0.727 . . . . 0.0 109.302 179.886 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.6 p -96.43 159.49 14.92 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.526 1.141 . . . . 0.0 110.07 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.594 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -88.37 157.23 18.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 109.199 -179.875 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.4 6.12 46.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -100.3 -16.98 17.5 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.23 51.77 3.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.112 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 105' ' ' PRO . 72.9 m-20 -111.11 144.14 40.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.79 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -33.3 94.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.55 1.156 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.533 ' HG2' ' C1 ' ' A' ' 130' ' ' NCZ . 18.2 Cg_endo -75.07 111.44 3.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.48 142.39 37.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -141.25 173.42 23.35 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 11.8 p -104.93 132.17 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.76 91.5 1.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.538 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -83.69 137.62 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.208 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.4 t 156.86 -69.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.486 1.116 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 12.1 t80 -138.57 151.24 47.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.364 1.04 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.8 t30 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.367 179.952 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.814 ' C8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.414 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . 174.9 64.77 0.05 OUTLIER Pre-proline 0 C--N 1.323 -0.577 0 O-C-N 124.528 1.143 . . . . 0.0 109.207 179.915 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.4 Cg_endo -75.12 92.84 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.582 1.833 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.718 HG21 ' HE2' ' A' ' 106' ' ' GLU . 30.6 p 46.94 -159.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.67 1.231 . . . . 0.0 110.402 179.859 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.428 ' N ' ' HA2' ' A' ' 23' ' ' GLY . . . -58.97 114.92 2.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -140.18 145.08 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.63 1.206 . . . . 0.0 110.326 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.535 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 4.7 t -79.83 130.66 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.602 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -39.19 -61.76 0.91 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.614 1.196 . . . . 0.0 110.387 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.602 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.94 -155.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.452 ' HB3' ' N ' ' A' ' 113' ' ' ASN . 1.0 OUTLIER -151.84 -34.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.971 179.904 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -83.28 37.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.998 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -92.88 19.72 49.99 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.501 1.126 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 12' ' ' GLY . 1.8 pp -35.23 -47.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 0.808 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.503 ' O ' ' OG1' ' A' ' 17' ' ' THR . 9.4 t -154.92 -124.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.501 1.126 . . . . 0.0 110.054 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER 42.74 34.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' ASP . . . 37.49 55.75 1.63 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 14' ' ' SER . 3.7 m -69.5 105.0 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 -179.889 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG23 ' CG2' ' A' ' 68' ' ' THR . 5.1 t -94.77 122.46 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.535 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -151.68 -167.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.175 -179.883 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 2.6 mttt -107.37 140.95 39.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.421 179.849 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 6' ' ' THR . 64.6 t -114.41 103.69 15.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -89.09 127.13 35.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -109.46 94.28 0.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.678 1.236 . . . . 0.0 110.948 -179.917 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.93 110.52 21.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.578 0.81 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.82 32.41 29.93 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.599 1.187 . . . . 0.0 111.129 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.485 HD21 ' CD2' ' A' ' 97' ' ' LEU . 10.9 tp -99.33 -138.08 0.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.592 ' CD ' ' CD2' ' A' ' 32' ' ' TYR . 1.6 mp0 -52.21 90.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -60.08 84.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 73.43 15.05 79.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.421 1.076 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.524 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.6 -178.44 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 0.822 . . . . 0.0 110.481 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.538 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -144.68 103.12 3.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.383 179.873 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.592 ' CD2' ' CD ' ' A' ' 27' ' ' GLN . 12.4 m-30 -114.17 170.18 8.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -90.91 112.41 24.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 179.977 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.29 144.52 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.182 . . . . 0.0 109.192 -179.918 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.639 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 169.24 161.67 20.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 111.068 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.468 ' OE1' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -98.43 107.41 19.86 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.393 0.702 . . . . 0.0 110.387 179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.548 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 2.3 t -108.0 152.82 23.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 108.335 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -172.6 165.26 5.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 109.264 179.935 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -78.69 117.9 20.26 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.582 HG11 ' CD1' ' A' ' 83' ' ' TRP . 0.9 OUTLIER -106.99 -47.55 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.239 -179.939 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.6 ' OD2' ' CZ2' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -87.99 -175.45 5.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.401 1.063 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.9 m -50.33 92.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 49.76 23.16 4.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.059 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 53.3 t -98.35 117.23 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.6 0.824 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -69.67 105.48 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -113.51 134.86 54.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.373 1.046 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.568 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 42.5 m -97.66 155.94 16.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 108.155 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.453 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -85.57 167.0 27.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.163 . . . . 0.0 109.25 -179.944 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.553 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.0 Cg_endo -75.05 -11.39 21.38 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.546 1.814 . . . . 0.0 110.937 -179.902 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.48 12.26 31.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.36 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.915 ' HD2' ' H8 ' ' A' ' 130' ' ' NCZ . 0.3 OUTLIER -89.47 6.75 39.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.067 . . . . 0.0 109.362 179.943 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -105.99 93.02 4.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 111.037 179.938 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -149.68 85.24 1.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.617 1.198 . . . . 0.0 109.944 -179.884 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 53' ' ' SER . 28.5 t -35.31 140.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 110.058 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.53 ' CG1' ' CG2' ' A' ' 65' ' ' THR . 2.7 t -155.4 144.74 12.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.479 1.112 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.538 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -132.21 146.21 51.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 110.379 -179.927 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -105.98 143.78 33.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -63.07 158.37 19.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.41 -29.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 58' ' ' ASP . 20.6 t30 -88.4 34.72 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.91 40.21 3.09 Favored Glycine 0 CA--C 1.528 0.873 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 3.4 m -105.56 100.25 9.83 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.356 0.68 . . . . 0.0 109.959 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 57' ' ' ALA . . . -104.95 85.46 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.414 179.867 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 3.5 p -95.83 74.76 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.53 ' CG2' ' CG1' ' A' ' 55' ' ' VAL . 82.2 p -110.03 136.39 49.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.509 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 63.7 p -105.69 143.43 33.85 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.405 1.066 . . . . 0.0 110.036 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -160.11 -174.52 4.59 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.484 ' CG2' HG23 ' A' ' 18' ' ' VAL . 63.4 m -108.26 126.49 52.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.483 ' CG1' ' HB ' ' A' ' 17' ' ' THR . 4.5 p -89.22 92.42 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.468 ' N ' ' OE1' ' A' ' 36' ' ' GLN . 4.2 mmt180 -96.04 125.63 40.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 22.2 ttp180 -91.43 -39.98 11.68 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.351 1.032 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 13.6 p -85.02 131.78 34.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.049 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.511 ' HB3' ' CG ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 161.78 -177.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.952 -179.962 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 2.5 tt0 -91.34 107.19 19.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.417 ' HA3' ' OG1' ' A' ' 85' ' ' THR . . . -88.72 167.75 35.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -135.46 132.89 37.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.727 . . . . 0.0 111.032 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.525 ' CD1' ' HB2' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -53.11 176.2 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.585 1.178 . . . . 0.0 109.356 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -82.79 -27.07 31.23 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.574 1.171 . . . . 0.0 111.084 179.909 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.452 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -61.42 -57.89 10.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.49 -27.54 0.25 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -73.06 146.29 45.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 0.817 . . . . 0.0 110.404 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -81.61 139.27 35.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.6 ' CZ2' ' OD2' ' A' ' 41' ' ' ASP . 60.6 t-105 -97.06 -88.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 108.03 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.494 ' O ' ' HA ' ' A' ' 74' ' ' GLU . . . 173.04 -57.3 0.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 87' ' ' ASP . 61.8 m 69.95 -62.37 0.43 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.406 0.71 . . . . 0.0 110.488 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 72' ' ' SER . 57.6 t 66.24 -67.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 179.879 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 85' ' ' THR . 0.5 OUTLIER -143.79 96.2 2.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.4 1.063 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 4.0 t -68.33 67.23 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 108.259 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 87' ' ' ASP . 9.7 t -106.31 -12.87 15.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.044 . . . . 0.0 110.445 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 91' ' ' ALA . 10.0 t -89.24 -55.01 3.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.01 130.78 36.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.75 115.06 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.343 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -81.94 124.08 29.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 108.352 179.913 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.9 pt20 -101.59 123.36 45.48 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.411 1.069 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 44.0 t -87.44 114.89 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.576 1.172 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.16 170.12 38.51 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.485 ' CD2' HD21 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -107.52 133.39 52.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.6 p -103.3 154.93 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.513 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -64.23 160.71 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 -179.952 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.38 -3.08 38.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.235 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.08 -87.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -173.35 37.12 0.13 Allowed Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.439 1.087 . . . . 0.0 110.99 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -147.87 151.4 35.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.233 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.532 ' O ' ' C2 ' ' A' ' 130' ' ' NCZ . . . 177.68 66.22 0.06 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.521 1.138 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 1.68 7.48 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.523 1.802 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.718 ' HE2' HG21 ' A' ' 4' ' ' THR . 3.8 mm-40 -82.31 149.89 27.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 140.74 147.97 5.04 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 -179.922 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.3 p -104.41 128.76 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.431 0.724 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.09 90.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.5 tp -81.08 159.61 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 4.4 p 167.31 -71.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.573 1.171 . . . . 0.0 110.01 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 27.6 p90 -157.17 118.63 3.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.452 ' N ' ' HB3' ' A' ' 10' ' ' SER . 20.8 t-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.915 ' H8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.788 ' O ' ' CB ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.788 ' CB ' ' O ' ' A' ' 1' ' ' ALA . . . 134.43 -40.31 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.372 1.045 . . . . 0.0 109.355 179.875 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.698 ' CD ' ' N ' ' A' ' 2' ' ' ALA . 18.5 Cg_endo -74.97 60.46 5.43 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.44 1.758 . . . . 0.0 110.996 179.9 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.497 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 0.5 OUTLIER 57.25 -164.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.335 179.927 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.425 ' HB2' ' CD2' ' A' ' 97' ' ' LEU . . . -74.23 127.49 33.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -137.08 143.78 42.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.406 1.066 . . . . 0.0 110.382 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.507 ' HB ' ' CD1' ' A' ' 110' ' ' ILE . 3.5 t -88.32 113.11 24.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.563 1.165 . . . . 0.0 109.307 179.899 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.728 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -51.27 -68.7 0.36 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.95 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.728 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.05 52.24 3.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -87.4 -0.55 56.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 112' ' ' PHE . 51.1 p -93.2 128.18 39.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.065 179.904 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 41.16 47.92 4.39 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.509 HD23 ' CG1' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -73.16 173.35 9.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 0.729 . . . . 0.0 109.266 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 69' ' ' VAL . 1.6 t -135.85 153.19 51.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.051 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -61.19 99.24 0.09 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.45 ' HA2' ' CG2' ' A' ' 68' ' ' THR . . . 112.99 24.62 4.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.34 126.32 39.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 0.751 . . . . 0.0 110.429 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -72.83 115.68 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.481 ' CG2' HG12 ' A' ' 7' ' ' VAL . 5.1 m -120.7 162.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.328 1.017 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.68 115.73 29.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 t -91.47 91.04 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.61 112.15 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.497 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -110.84 139.9 15.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.436 1.085 . . . . 0.0 111.077 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 2' ' ' ALA . . . -145.04 118.7 9.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.28 -179.932 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 85.78 9.53 77.81 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -71.41 -107.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.618 ' OE1' ' CD1' ' A' ' 32' ' ' TYR . 17.2 mm-40 -49.79 -21.44 1.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.43 1.081 . . . . 0.0 110.245 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 64.13 17.01 10.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 124.74 -8.27 8.22 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.579 1.174 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.459 ' CA ' ' HB3' ' A' ' 27' ' ' GLN . 1.3 m -80.87 -161.42 0.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 0.757 . . . . 0.0 110.474 179.933 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.534 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -143.53 122.37 12.69 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.622 ' CE1' ' HA ' ' A' ' 99' ' ' ASP . 0.9 OUTLIER -123.84 176.24 6.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.409 1.068 . . . . 0.0 111.025 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 15.2 t0 -100.94 126.39 47.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.449 HG12 ' CB ' ' A' ' 53' ' ' SER . 0.7 OUTLIER -86.06 139.82 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.445 179.898 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.526 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 173.41 148.93 6.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.095 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.726 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -91.97 108.71 20.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.566 0.804 . . . . 0.0 110.348 179.912 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.586 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 2.1 t -108.14 149.36 28.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 108.299 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -174.01 154.72 2.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.5 p-90 -62.15 115.47 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.645 HG11 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -98.17 -42.02 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -84.23 -154.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.509 ' O ' ' CG2' ' A' ' 42' ' ' THR . 6.6 t -75.77 56.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.453 179.901 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.46 1.16 57.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.455 1.097 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.452 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 21.1 t -78.97 113.61 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.426 0.721 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 104.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.388 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.528 ' CB ' ' CG1' ' A' ' 40' ' ' VAL . . . -114.71 134.89 54.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.366 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.62 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 31.8 m -101.48 156.06 17.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 108.339 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.607 ' N ' HD21 ' A' ' 48' ' ' ASN . 1.2 m120 -85.7 165.73 33.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.4 Cg_endo -75.04 -9.86 20.9 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.461 1.769 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.66 14.01 29.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.552 ' OD1' ' C8 ' ' A' ' 130' ' ' NCZ . 0.0 OUTLIER -87.92 7.39 31.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.237 -179.917 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 2.2 m-85 -105.79 90.33 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.065 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 54' ' ' SER . 0.3 OUTLIER -145.73 84.01 1.66 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.123 . . . . 0.0 109.987 179.957 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 53' ' ' SER . 14.5 t -33.15 143.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.498 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 1.3 p -152.05 149.71 13.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.223 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.534 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -137.03 138.82 40.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.43 179.982 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.507 ' CB ' ' HB2' ' A' ' 27' ' ' GLN . . . -105.69 136.72 44.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 1.045 . . . . 0.0 109.394 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.646 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -58.65 162.31 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -36.99 -37.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -87.85 38.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.367 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.646 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.58 38.95 1.63 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.47 1.106 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -93.99 93.58 7.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 0.79 . . . . 0.0 109.992 179.964 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.29 79.85 1.43 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.455 1.097 . . . . 0.0 109.225 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 p -91.44 77.66 5.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.065 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.498 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 3.8 t -109.18 146.05 34.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.359 1.037 . . . . 0.0 110.348 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.0 p -106.32 149.34 27.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.961 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.53 174.6 13.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.45 ' CG2' ' HA2' ' A' ' 16' ' ' GLY . 52.3 m -106.42 135.46 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.358 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.509 ' CG1' HD23 ' A' ' 13' ' ' LEU . 25.1 t -88.73 90.91 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.602 1.189 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' ARG . 1.2 mtt180 -100.87 69.59 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 110.232 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -36.01 -38.32 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.609 1.193 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 9.8 p -79.52 110.41 14.8 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.595 ' CE1' ' ND2' ' A' ' 48' ' ' ASN . 8.2 p90 -157.82 147.77 20.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.472 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 58.8 tt0 -80.44 79.05 7.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -37.79 150.65 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.105 . . . . 0.0 111.049 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -137.02 117.4 13.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.578 0.81 . . . . 0.0 110.985 179.945 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.462 ' CD1' HG21 ' A' ' 81' ' ' THR . 6.8 mt -56.78 124.61 19.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -55.66 -25.57 40.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 111.049 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -52.48 -48.9 65.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.384 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.0 -24.54 0.48 Allowed Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.517 1.136 . . . . 0.0 111.074 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.462 HG21 ' CD1' ' A' ' 77' ' ' LEU . 10.7 t -89.6 145.57 25.17 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.427 0.722 . . . . 0.0 110.461 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.49 142.59 27.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.245 -179.891 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.645 ' CD1' HG11 ' A' ' 40' ' ' VAL . 67.5 t-105 -104.91 -89.07 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 107.989 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.613 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 141.44 -106.19 0.46 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.533 1.146 . . . . 0.0 110.8 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.613 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 58.0 m 82.29 -50.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 0.748 . . . . 0.0 110.392 -179.899 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 85' ' ' THR . 93.5 t 69.08 -103.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -49.58 95.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 40.5 t -81.81 52.7 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 108.201 -179.922 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.9 t -93.5 -22.53 18.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 m -88.55 -50.91 5.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.401 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -89.39 149.74 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.233 -179.877 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.79 118.32 28.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.424 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -90.63 122.04 33.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.608 1.192 . . . . 0.0 108.237 -179.929 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 29.5 mt-30 -94.37 112.43 24.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.493 HG22 ' CD1' ' A' ' 110' ' ' ILE . 36.9 t -87.86 114.74 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -165.72 175.73 41.33 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.486 ' CD1' ' HG ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -106.47 124.16 49.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.804 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.527 ' HB3' ' C7 ' ' A' ' 130' ' ' NCZ . 80.6 p -97.16 167.09 11.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.389 1.055 . . . . 0.0 109.932 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.622 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -76.13 160.81 29.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.29 -4.51 30.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.18 -29.96 17.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.8 46.52 2.08 Favored Glycine 0 CA--C 1.532 1.134 0 O-C-N 124.453 1.095 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 70.5 m-80 -148.28 161.54 41.3 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.467 0.746 . . . . 0.0 109.202 -179.888 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.62 100.94 2.57 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.613 1.196 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.493 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.3 Cg_endo -74.93 50.06 2.4 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.434 1.755 . . . . 0.0 110.962 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.486 ' O ' ' C18' ' A' ' 130' ' ' NCZ . 1.0 OUTLIER -91.3 119.72 31.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.93 148.94 7.92 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.342 1.026 . . . . 0.0 111.075 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.6 p -97.77 137.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.56 94.31 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.614 1.196 . . . . 0.0 109.366 179.872 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.621 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.7 OUTLIER -79.26 139.79 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.2 t 149.14 -82.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.957 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.57 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 1.7 p90 -143.38 127.94 18.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 31.1 t30 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.98 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.62 ' C10' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.39 71.24 1.65 Allowed Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.414 ' HD2' ' CB ' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.97 -16.96 20.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.391 1.732 . . . . 0.0 111.033 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 1.3 p 54.94 -145.89 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.221 179.93 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.475 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -77.11 122.39 24.92 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -143.8 144.93 32.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.465 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.529 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 2.7 t -76.94 134.12 29.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.217 -179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.559 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -41.69 -59.65 2.35 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 -179.956 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.559 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.11 -160.89 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.436 ' HB2' ' CA ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -135.52 -44.85 0.68 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 -179.957 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -80.74 68.18 6.89 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.945 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -61.3 -9.67 17.71 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.924 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.548 ' CD2' ' O ' ' A' ' 111' ' ' SER . 4.2 pp -67.87 61.25 0.07 Allowed 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.498 0.763 . . . . 0.0 109.334 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -136.75 127.33 26.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.912 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 14' ' ' SER . 11.9 p-10 -33.78 94.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.58 1.175 . . . . 0.0 109.382 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 51.31 68.53 1.47 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.438 1.086 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.521 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 2.1 m -69.58 109.54 4.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.462 0.742 . . . . 0.0 110.377 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.477 HG22 ' CG2' ' A' ' 68' ' ' THR . 3.5 t -89.34 118.33 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.529 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 0.6 OUTLIER -150.2 -171.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.927 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.01 137.15 51.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.0 t -110.78 105.16 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.98 130.01 35.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.501 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -105.84 109.12 3.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.127 . . . . 0.0 111.07 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.414 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . . . -92.99 110.78 22.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 0.79 . . . . 0.0 109.387 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.76 40.95 99.01 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.522 ' HG ' ' CG ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -86.13 -122.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 0.752 . . . . 0.0 109.373 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.582 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 7.4 mm-40 -41.71 -24.48 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.461 1.1 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.553 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 56.95 56.34 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 93.73 -27.86 11.58 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.529 ' HB ' ' CD ' ' A' ' 27' ' ' GLN . 2.7 m -65.3 -159.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 0.773 . . . . 0.0 110.441 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.548 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -153.28 129.24 10.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 109.271 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.747 ' CE1' ' HA ' ' A' ' 99' ' ' ASP . 1.5 m-30 -132.36 -167.63 1.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 111.021 179.918 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -117.81 117.74 30.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' A' ' 97' ' ' LEU . 2.0 t -77.36 150.39 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.12 . . . . 0.0 109.234 -179.881 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.564 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 169.77 148.5 5.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.575 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -92.3 82.86 4.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.342 0.672 . . . . 0.0 110.32 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.591 ' HB3' ' C1 ' ' A' ' 130' ' ' NCZ . 10.1 t -92.73 151.59 19.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.19 -179.899 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -171.42 171.78 5.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.573 ' CD1' HD13 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -77.21 122.49 25.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.995 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.492 ' CG1' HD23 ' A' ' 77' ' ' LEU . 6.2 p -101.65 -49.07 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.203 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.496 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -89.52 -159.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -81.47 91.83 6.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.855 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.31 8.5 75.28 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.542 1.151 . . . . 0.0 111.044 -179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.496 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 6.4 t -96.48 112.25 28.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.628 0.84 . . . . 0.0 109.242 -179.951 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.573 HD13 ' CD1' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -75.32 120.49 20.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.934 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . . . -130.4 143.01 50.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.622 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 3.7 m -110.75 149.59 30.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.212 -179.876 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.579 ' ND2' ' N ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -82.51 171.94 10.67 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.943 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -74.88 -10.07 21.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.307 1.688 . . . . 0.0 111.051 179.903 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.23 13.56 32.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.884 ' HD2' ' H8 ' ' A' ' 130' ' ' NCZ . 0.9 OUTLIER -89.03 9.22 26.03 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.405 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 9.0 m-85 -106.52 98.8 8.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.3 t -144.97 79.02 1.58 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.42 1.075 . . . . 0.0 109.961 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.6 p -56.5 126.59 27.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.431 1.082 . . . . 0.0 109.987 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.496 ' CG1' HG22 ' A' ' 34' ' ' VAL . 9.8 p -154.69 161.26 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.548 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -124.9 148.73 48.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.975 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.415 ' CB ' ' HB2' ' A' ' 27' ' ' GLN . . . -92.78 137.43 32.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.431 1.082 . . . . 0.0 109.401 179.844 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER -64.52 160.75 18.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.24 -37.89 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.38 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -87.96 38.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.41 1.069 . . . . 0.0 109.359 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.642 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.95 37.44 1.39 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 49.4 m -96.62 99.89 11.49 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.42 0.717 . . . . 0.0 109.926 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.9 87.15 2.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.8 p -95.62 81.2 3.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.077 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.467 ' CB ' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -107.76 133.54 52.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.922 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.4 p -92.74 138.36 31.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.944 -179.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.66 167.45 29.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.477 ' CG2' HG22 ' A' ' 18' ' ' VAL . 51.1 m -106.65 141.97 37.05 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.431 1.082 . . . . 0.0 110.442 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.405 ' HB ' ' HB ' ' A' ' 17' ' ' THR . 21.8 t -88.18 87.37 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.382 1.051 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -87.02 72.6 10.04 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.483 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 4.6 ttm180 -45.69 -36.06 4.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.636 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 17.2 p -104.08 128.31 51.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.04 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 72' ' ' SER . 0.4 OUTLIER 160.58 126.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.427 1.079 . . . . 0.0 111.029 -179.943 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 83' ' ' TRP . 17.1 tt0 -80.28 122.57 27.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -111.5 -140.19 8.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.423 1.077 . . . . 0.0 110.889 -179.878 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 47' ' ' CYS . 42.2 p90 -130.77 150.61 51.86 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.45 0.735 . . . . 0.0 110.951 -179.907 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.51 ' HA ' ' CB ' ' A' ' 46' ' ' ALA . 1.3 mt -88.15 175.47 7.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.401 179.887 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -60.1 -27.97 67.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 111.064 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.04 -59.66 2.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.112 . . . . 0.0 109.257 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.66 -27.92 0.2 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.422 ' HB ' ' CD1' ' A' ' 77' ' ' LEU . 32.1 m -40.25 130.43 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 0.781 . . . . 0.0 110.434 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -75.51 74.01 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.972 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.663 ' O ' ' N ' ' A' ' 75' ' ' GLY . 1.9 t90 -112.99 -79.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.661 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 55.8 132.69 0.01 OUTLIER Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.661 ' C ' ' O ' ' A' ' 84' ' ' GLY . 8.4 m 11.88 -81.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 0.712 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.622 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.4 OUTLIER 86.26 -42.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.597 1.186 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.453 ' N ' HG13 ' A' ' 86' ' ' VAL . 7.0 t0 -153.8 91.59 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.609 1.193 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.483 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -80.55 53.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.359 1.037 . . . . 0.0 108.295 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.5 t -92.46 -5.95 50.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 m -144.7 -46.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.433 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.86 135.03 43.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.378 1.049 . . . . 0.0 109.247 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.96 126.5 31.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.228 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.84 123.76 34.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.29 179.935 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.575 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 31.3 mt-30 -94.19 103.09 15.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.554 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 2.0 t -87.45 114.74 26.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 124.534 1.146 . . . . 0.0 109.197 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -166.1 171.27 41.13 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.543 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -98.47 120.96 39.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 0.818 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 104' ' ' GLY . 3.9 m -106.84 170.59 7.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.043 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.747 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -51.75 164.88 0.21 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.604 1.19 . . . . 0.0 109.233 -179.926 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.47 -30.75 42.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.0 10.99 14.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.561 1.163 . . . . 0.0 109.207 -179.934 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 99' ' ' ASP . . . 66.15 33.33 84.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.954 179.904 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.511 ' HA ' ' C15' ' A' ' 130' ' ' NCZ . 66.4 m-20 -102.88 156.73 17.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.4 ' O ' ' OG ' ' A' ' 98' ' ' SER . . . 101.99 121.43 4.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.394 1.059 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 49.62 2.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.569 1.826 . . . . 0.0 111.046 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.487 ' O ' ' C18' ' A' ' 130' ' ' NCZ . 0.3 OUTLIER -91.49 121.22 33.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 180.0 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.408 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . 151.07 154.82 6.67 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 p -106.2 139.81 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.234 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.49 90.34 2.2 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.946 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.5 ' O ' ' CB ' ' A' ' 111' ' ' SER . 2.3 tp -90.17 153.3 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.548 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 1.6 m 159.95 -55.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.006 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.487 ' O ' ' CG ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -148.16 118.3 7.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 111.063 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.436 ' CA ' ' HB2' ' A' ' 10' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.884 ' H8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.672 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -154.23 50.55 0.56 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.242 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.672 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.4 Cg_endo -75.06 77.03 3.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 111.078 179.925 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 25.4 p 40.7 -122.61 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.471 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -85.54 127.69 34.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 109.329 -179.909 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.489 ' CG2' ' HG2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -149.8 143.38 25.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.613 1.195 . . . . 0.0 110.346 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.493 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.0 t -74.49 130.79 35.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.491 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.12 -55.94 1.27 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 0.0 110.363 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.493 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.97 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.605 1.845 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 m -137.55 -52.91 0.66 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 111' ' ' SER . 88.3 p -77.54 90.37 3.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.419 1.074 . . . . 0.0 109.938 -179.926 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.454 ' CA ' HG13 ' A' ' 69' ' ' VAL . . . -65.79 -4.64 20.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.106 . . . . 0.0 111.052 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.55 ' CD1' ' O ' ' A' ' 111' ' ' SER . 1.0 OUTLIER -72.53 54.08 0.32 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 0.759 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -130.52 121.15 25.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.93 179.968 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' A' ' 14' ' ' SER . 1.8 t70 -34.61 93.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.332 179.905 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 40.51 69.72 0.45 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.401 1.063 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.48 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.3 OUTLIER -75.4 122.36 23.68 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.449 0.735 . . . . 0.0 110.404 -179.956 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.423 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.9 t -94.16 121.97 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.457 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -148.2 -171.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.55 136.05 54.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.902 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.486 HG12 ' CG2' ' A' ' 65' ' ' THR . 2.7 t -99.96 113.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -87.67 127.23 35.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.212 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 4' ' ' THR . . . -103.86 109.0 3.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 0.0 111.058 179.862 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 2' ' ' ALA . . . -107.43 89.98 3.16 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.48 0.753 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.94 32.4 6.5 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -88.89 -136.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 0.785 . . . . 0.0 109.369 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.585 ' CD ' ' CZ ' ' A' ' 32' ' ' TYR . 7.3 mm-40 -61.46 91.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.29 81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.375 1.047 . . . . 0.0 109.193 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 82.52 4.83 89.97 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.411 1.07 . . . . 0.0 111.074 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.556 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -89.88 -178.21 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 0.807 . . . . 0.0 110.341 -179.934 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.526 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -141.51 112.65 7.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.434 1.084 . . . . 0.0 109.203 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.585 ' CZ ' ' CD ' ' A' ' 27' ' ' GLN . 6.8 m-30 -116.62 -169.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -118.93 114.67 22.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.528 HG23 ' CG2' ' A' ' 65' ' ' THR . 2.5 t -73.9 146.97 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.609 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 170.08 149.99 6.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -92.54 100.0 12.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.634 0.844 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.58 ' HB3' ' C1 ' ' A' ' 130' ' ' NCZ . 3.9 t -106.27 168.98 8.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 108.329 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 37' ' ' CYS . . . 167.94 162.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 109.376 -179.95 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 14.3 p90 -75.24 109.7 8.96 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.954 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.489 HG22 ' CD1' ' A' ' 83' ' ' TRP . 8.8 p -86.84 -52.33 11.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.505 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -89.53 -169.61 2.54 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.33 1.019 . . . . 0.0 109.231 -179.938 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.2 m -59.89 94.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.47 18.57 30.44 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.533 1.146 . . . . 0.0 110.914 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.505 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 48.6 t -92.53 105.77 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.419 0.717 . . . . 0.0 109.362 179.908 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.479 HD11 ' C11' ' A' ' 130' ' ' NCZ . 3.0 tm? -67.71 106.72 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.514 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . . . -121.17 148.26 44.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.617 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 13.2 m -115.82 153.82 30.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 108.31 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.544 ' ND2' ' N ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -82.34 172.69 8.98 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 124.428 1.08 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.585 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.05 -11.63 21.39 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.81 18.73 21.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.609 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -87.25 7.22 29.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -108.3 101.74 10.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.613 1.195 . . . . 0.0 110.978 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.489 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 23.1 t -151.34 80.56 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.1 p -49.34 129.15 18.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.484 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -150.46 160.34 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.526 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -136.06 147.02 47.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -107.48 145.73 32.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -70.96 157.4 38.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 0.0 109.337 179.981 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.92 -26.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.618 1.199 . . . . 0.0 109.337 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 58' ' ' ASP . 20.2 t-20 -87.1 34.59 0.68 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.13 36.04 1.89 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.296 0.998 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 1.3 m -97.88 96.75 8.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 0.703 . . . . 0.0 109.962 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.494 ' CB ' ' HB1' ' A' ' 57' ' ' ALA . . . -96.29 88.9 4.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.395 1.06 . . . . 0.0 109.408 179.887 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.6 p -88.35 81.55 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.087 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.528 ' CG2' HG23 ' A' ' 34' ' ' VAL . 10.0 t -106.09 169.86 8.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 -179.887 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.4 p -150.89 143.85 24.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.695 1.247 . . . . 0.0 109.851 -179.911 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 tp -166.36 176.5 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 179.915 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 17' ' ' THR . 18.4 m -108.41 143.48 37.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.64 1.213 . . . . 0.0 110.461 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.454 HG13 ' CA ' ' A' ' 12' ' ' GLY . 14.1 t -88.47 86.42 2.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 109.339 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.656 ' O ' ' CE2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -87.09 71.53 10.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.392 1.058 . . . . 0.0 110.23 -179.869 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.475 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 3.0 tmm_? -35.81 -37.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.487 ' O ' ' HB3' ' A' ' 73' ' ' PHE . 97.6 p -104.05 134.88 46.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.682 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER 163.08 119.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.507 ' HB2' ' CG2' ' A' ' 86' ' ' VAL . 29.3 tt0 -77.87 116.12 18.13 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 179.878 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -105.22 -146.78 15.08 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.54 1.15 . . . . 0.0 110.919 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.543 ' CD2' ' O ' ' A' ' 77' ' ' LEU . 3.3 p90 -130.02 152.07 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 111.058 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 76' ' ' PHE . 1.1 mt -89.84 174.31 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.209 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -62.94 -22.93 67.14 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.586 1.179 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -79.37 -57.4 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.247 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.58 -25.2 0.28 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.494 1.122 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 77' ' ' LEU . 2.9 m -47.18 133.84 11.51 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 124.475 0.75 . . . . 0.0 110.553 179.919 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -80.04 76.09 6.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.6 1.188 . . . . 0.0 110.359 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.599 ' O ' ' N ' ' A' ' 75' ' ' GLY . 1.6 t90 -111.09 -84.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.01 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.679 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 56.51 121.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.423 1.077 . . . . 0.0 111.023 -179.904 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.633 ' C ' ' O ' ' A' ' 84' ' ' GLY . 47.2 m 16.51 -81.74 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 124.502 0.766 . . . . 0.0 110.445 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.679 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.4 OUTLIER 87.96 -34.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.656 1.222 . . . . 0.0 109.387 -179.984 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.486 ' N ' HG12 ' A' ' 86' ' ' VAL . 8.4 t0 -159.78 93.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.381 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.475 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -69.86 61.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 108.23 -179.898 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.465 ' CG2' ' CG ' ' A' ' 87' ' ' ASP . 33.9 p -105.52 -5.8 19.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.589 1.181 . . . . 0.0 110.356 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.0 m -150.08 -45.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 -179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.42 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -74.49 135.24 42.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.607 1.192 . . . . 0.0 109.237 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.26 107.7 18.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.418 ' SG ' HG23 ' A' ' 85' ' ' THR . 0.6 OUTLIER -87.6 125.59 34.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.627 1.204 . . . . 0.0 108.327 179.993 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.476 ' O ' ' CG ' ' A' ' 94' ' ' GLN . 2.5 pt20 -100.23 119.64 38.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.396 179.889 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.509 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 1.8 t -89.49 120.27 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.379 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.07 174.77 44.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.495 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -105.72 128.56 53.76 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 0.777 . . . . 0.0 109.326 179.912 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.482 ' CB ' ' HB3' ' A' ' 105' ' ' PRO . 55.2 p -97.26 163.67 12.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -86.68 158.99 19.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.376 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.39 11.44 14.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.924 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -104.08 -22.91 13.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.64 52.94 2.86 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 105' ' ' PRO . 88.5 m-20 -116.07 152.35 33.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 0.816 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -33.89 95.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.434 1.084 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.544 ' HG2' ' C2 ' ' A' ' 130' ' ' NCZ . 18.4 Cg_endo -75.09 139.68 24.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.78 142.16 28.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.17 156.04 27.36 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.424 1.078 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.06 124.23 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 0.735 . . . . 0.0 109.226 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.0 93.54 0.2 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.422 ' O ' ' HB2' ' A' ' 111' ' ' SER . 1.2 tp -92.74 142.43 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.55 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER 168.58 -58.12 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.586 1.179 . . . . 0.0 110.04 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.539 ' CD2' ' HB3' ' A' ' 111' ' ' SER . 0.9 OUTLIER -137.58 149.13 46.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.985 179.944 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 19.2 p30 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.98 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.617 ' C9 ' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.445 ' CB ' HG23 ' A' ' 6' ' ' THR . . . 56.35 72.87 0.91 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.593 1.183 . . . . 0.0 109.35 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 153.97 42.33 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 111.05 -179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.466 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.1 p 52.11 -153.65 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.421 ' CB ' HD23 ' A' ' 26' ' ' LEU . . . -75.47 128.04 34.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.383 179.904 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.55 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.6 OUTLIER -149.48 179.14 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 -179.941 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.573 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 4.6 t -114.58 127.34 72.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.753 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -35.7 -69.7 0.16 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.934 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.753 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.01 -160.91 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.573 1.828 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -139.37 -45.23 0.45 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.432 1.083 . . . . 0.0 109.956 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -62.74 74.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.959 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 10' ' ' SER . . . -61.56 -8.92 15.61 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.549 ' CD1' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -78.81 51.67 1.13 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.41 0.712 . . . . 0.0 109.354 179.931 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -126.15 120.67 30.72 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.407 1.067 . . . . 0.0 109.98 179.959 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' SER . 21.5 p-10 -36.1 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 39.51 69.81 0.39 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.514 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.3 OUTLIER -77.33 117.61 19.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 0.0 110.424 179.95 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -85.58 114.25 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.355 179.923 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.488 HG13 ' CG ' ' A' ' 9' ' ' PRO . 33.8 m -134.66 -171.69 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.213 -179.891 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -113.23 134.68 54.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 6' ' ' THR . 4.9 t -109.74 102.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.45 133.17 33.79 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.356 1.035 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -123.09 77.21 0.35 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.43 1.081 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.0 125.09 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.424 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 89.25 15.33 59.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.88 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.48 HD23 ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -84.77 -146.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 -179.933 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.484 ' HB3' ' CB ' ' A' ' 30' ' ' THR . 3.5 mt-30 -76.11 84.33 2.96 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.694 1.247 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.532 ' HB3' ' CA ' ' A' ' 61' ' ' GLY . . . -66.18 115.51 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.51 -22.78 35.46 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.472 1.108 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.484 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.11 -177.81 5.0 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.549 0.793 . . . . 0.0 110.388 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.422 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -148.81 154.79 40.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.383 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.707 ' CE1' ' CD2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -150.33 -169.03 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.406 1.066 . . . . 0.0 110.975 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.89 116.78 32.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.526 ' CG1' ' CD1' ' A' ' 67' ' ' LEU . 43.1 t -79.26 130.49 36.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.622 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 179.62 163.05 29.73 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.632 1.207 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.528 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -96.23 101.63 13.31 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.527 0.78 . . . . 0.0 110.257 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.641 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 5.7 t -108.11 154.12 22.16 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.478 1.111 . . . . 0.0 108.319 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 175.62 170.8 0.35 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.421 1.076 . . . . 0.0 109.345 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.5 p-90 -75.56 112.79 12.27 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.598 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -102.62 -50.91 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.177 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.525 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 0.6 OUTLIER -91.35 170.2 10.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.487 ' C ' ' O ' ' A' ' 41' ' ' ASP . 97.5 m -31.9 96.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.381 1.051 . . . . 0.0 110.255 -179.924 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 40.22 27.17 0.13 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.146 . . . . 0.0 110.954 179.897 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.472 HG13 ' CD2' ' A' ' 77' ' ' LEU . 2.1 t -100.37 118.27 46.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.215 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -68.39 107.99 3.07 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.487 ' CB ' HG11 ' A' ' 40' ' ' VAL . . . -121.35 137.76 54.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.215 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.559 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 34.4 m -101.31 154.69 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.206 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.629 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 2.1 m120 -75.35 161.6 76.17 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.475 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.6 Cg_endo -74.93 -15.57 20.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.385 1.729 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.67 18.21 21.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.912 ' HD2' ' C8 ' ' A' ' 130' ' ' NCZ . 0.0 OUTLIER -87.82 5.26 41.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 3.1 m-85 -96.72 86.72 4.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.3 t -137.37 74.55 1.49 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 109.904 -179.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.422 ' O ' HG23 ' A' ' 55' ' ' VAL . 50.3 p -43.29 125.79 3.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.077 179.922 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.512 ' CG1' ' N ' ' A' ' 56' ' ' THR . 2.1 t -147.66 164.76 6.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.512 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -133.37 160.51 37.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 179.924 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.92 138.19 42.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -67.88 155.66 38.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.53 -31.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' A' ' 58' ' ' ASP . 5.9 t30 -88.41 35.34 0.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.373 1.046 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 38.03 42.76 1.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.478 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 73.6 m -113.3 106.78 15.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 0.741 . . . . 0.0 110.034 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.44 88.9 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.367 179.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -93.97 79.45 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.927 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.507 ' CG2' HG21 ' A' ' 34' ' ' VAL . 8.8 t -109.07 136.87 47.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 110.474 179.899 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.5 p -89.31 139.16 30.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.526 ' CD1' ' CG1' ' A' ' 34' ' ' VAL . 2.5 mt -143.2 165.53 27.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.9 t -105.65 134.46 48.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.467 ' CG1' ' HA2' ' A' ' 12' ' ' GLY . 40.4 t -89.61 83.32 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.755 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 24.3 mtt-85 -103.95 67.47 0.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.459 ' NH1' ' O ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -37.25 -30.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.52 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 13.3 p -90.4 120.23 31.35 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.912 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.755 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -177.02 170.41 2.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 20.6 tt0 -94.25 104.81 16.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.81 161.5 43.38 Favored Glycine 0 CA--C 1.532 1.142 0 O-C-N 124.393 1.058 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 80' ' ' GLY . 13.6 t80 -134.79 118.67 17.28 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.679 0.87 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.472 ' CD2' HG13 ' A' ' 44' ' ' VAL . 1.7 mp -55.59 136.9 49.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.504 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.7 t80 -60.82 -25.83 66.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.891 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -55.83 -50.5 70.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.576 ' O ' ' CE1' ' A' ' 76' ' ' PHE . . . 156.53 -24.46 0.51 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.8 m -82.66 161.63 22.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.413 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -100.45 142.23 32.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.598 ' CD1' HG12 ' A' ' 40' ' ' VAL . 55.3 t-105 -105.69 -89.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.677 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 141.24 -98.82 0.23 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.541 1.151 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.677 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 96.3 m 82.76 -50.77 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 110.443 -179.9 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 72' ' ' SER . 98.3 t 72.99 -104.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.29 104.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 4.6 t -86.05 63.92 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 108.233 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.4 t -102.79 -22.27 13.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.598 1.186 . . . . 0.0 110.364 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.8 m -88.92 -47.22 8.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.435 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.418 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.66 143.78 26.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.53 98.6 11.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.639 1.212 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 21.3 m -75.9 132.83 40.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 108.328 179.934 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 10.8 mt-30 -102.65 118.16 36.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.528 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 2.6 t -87.86 112.04 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.207 -179.916 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -161.08 177.15 37.56 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.707 ' CD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -106.08 131.53 53.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.631 0.842 . . . . 0.0 109.346 179.939 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 26.2 t -105.33 142.09 35.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.944 -179.94 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -74.78 159.88 31.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.82 2.26 53.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.86 -18.61 20.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.94 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.53 51.58 3.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.583 1.177 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 105' ' ' PRO . 13.3 m120 -107.83 148.53 29.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 0.71 . . . . 0.0 109.246 -179.905 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.15 97.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.586 1.179 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.583 ' HG2' ' C1 ' ' A' ' 130' ' ' NCZ . 18.8 Cg_endo -74.84 126.62 10.19 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.526 1.803 . . . . 0.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.56 122.15 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.214 -179.931 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -131.84 153.15 20.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.544 1.153 . . . . 0.0 111.017 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.426 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 2.9 p -104.52 116.35 48.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.478 0.752 . . . . 0.0 109.233 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.67 90.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.459 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 1.1 tp -93.84 138.93 19.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.44 1.087 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.549 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 0.7 OUTLIER 175.85 -56.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.92 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -140.32 146.15 38.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.988 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.912 ' C8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.51 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -170.35 59.02 0.31 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.923 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.0 Cg_endo -74.87 -155.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.504 ' CG2' ' C ' ' A' ' 3' ' ' PRO . 1.1 p 67.43 -164.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.437 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 22' ' ' ALA . . . -78.54 125.91 30.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.16 -179.884 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -134.52 143.86 47.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.462 179.967 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.652 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -83.94 125.19 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.377 1.048 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.731 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -29.01 -69.62 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.384 -179.96 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.731 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.92 -160.82 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.638 1.862 . . . . 0.0 111.076 179.878 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -148.72 -71.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.398 1.061 . . . . 0.0 109.948 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.484 ' CB ' ' HB3' ' A' ' 112' ' ' PHE . 10.8 t -111.42 150.92 29.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.604 1.19 . . . . 0.0 109.926 -179.893 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.08 37.85 6.18 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.517 1.135 . . . . 0.0 111.155 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.476 ' CD1' HG23 ' A' ' 110' ' ' ILE . 2.3 mt -90.13 153.37 20.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 16' ' ' GLY . 6.6 t -120.82 154.83 35.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.431 ' HA ' ' N ' ' A' ' 71' ' ' ARG . 1.7 t0 -58.16 79.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 124.37 38.41 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.558 1.162 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.2 m -89.19 109.02 19.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.762 . . . . 0.0 110.429 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -73.64 122.69 27.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.517 ' CG2' HG12 ' A' ' 7' ' ' VAL . 35.7 m -140.25 160.25 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.381 1.051 . . . . 0.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -95.85 124.63 39.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 6' ' ' THR . 53.3 t -98.99 100.32 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.585 1.178 . . . . 0.0 109.243 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.431 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -89.22 117.8 28.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 179.898 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -111.16 135.9 13.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.361 1.038 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.82 122.42 17.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 63.95 21.89 66.09 Favored Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.404 1.065 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.427 ' CD2' ' HG ' ' A' ' 97' ' ' LEU . 45.2 tp -85.79 -98.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.614 0.832 . . . . 0.0 109.264 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.61 ' NE2' ' CG ' ' A' ' 32' ' ' TYR . 1.6 mp0 -47.61 -20.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.442 1.089 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 26' ' ' LEU . . . 71.93 4.57 5.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.208 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 114.07 3.56 22.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 179.886 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -86.11 -161.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 0.74 . . . . 0.0 110.411 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.539 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -130.23 115.32 16.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.668 ' CD2' ' N ' ' A' ' 99' ' ' ASP . 4.9 m-85 -123.41 163.9 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.567 ' HD2' ' HA ' ' A' ' 52' ' ' PHE . 3.1 t70 -90.4 118.62 30.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.487 HG23 ' CD2' ' A' ' 97' ' ' LEU . 90.0 t -80.61 133.87 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.552 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 176.17 154.01 11.16 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.543 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 1.5 pt20 -92.44 100.03 12.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.796 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.508 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 3.3 t -105.73 153.59 21.65 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.482 1.114 . . . . 0.0 108.293 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 178.31 170.06 0.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.0 p-90 -77.49 114.66 16.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.5 ' CG1' HD21 ' A' ' 77' ' ' LEU . 8.9 p -95.31 -50.06 11.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.361 179.903 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.497 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 1.6 t0 -81.64 -158.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.93 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -83.73 84.62 7.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.386 1.054 . . . . 0.0 110.431 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.13 18.8 75.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.497 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 19.2 t -104.72 113.5 41.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.574 0.808 . . . . 0.0 109.218 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.486 ' CD2' H172 ' A' ' 130' ' ' NCZ . 0.1 OUTLIER -72.27 107.11 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.883 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.537 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . . . -117.9 145.12 44.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.637 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 35.5 m -107.95 155.71 20.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 108.285 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.55 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.9 OUTLIER -79.0 163.55 59.59 Favored Pre-proline 0 N--CA 1.451 -0.407 0 O-C-N 124.396 1.06 . . . . 0.0 109.353 179.86 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.581 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.07 -16.93 19.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.66 16.86 24.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.261 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.584 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -87.76 11.39 15.51 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 1.6 m-85 -104.05 91.09 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.409 ' OG ' HD21 ' A' ' 67' ' ' LEU . 11.5 t -144.16 80.3 1.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.504 1.127 . . . . 0.0 109.938 -179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.03 115.85 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.957 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.485 ' CG1' ' CG2' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -136.28 162.16 36.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.596 1.185 . . . . 0.0 109.363 179.858 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.539 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -132.42 151.91 51.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 -179.885 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.476 ' HB2' ' CB ' ' A' ' 63' ' ' ALA . . . -107.81 156.2 19.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.608 1.192 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -68.31 157.75 34.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.31 -29.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 109.297 179.93 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.7 t30 -88.77 36.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.78 37.86 1.44 Allowed Glycine 0 CA--C 1.532 1.141 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.9 OUTLIER -99.81 99.78 10.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.618 0.834 . . . . 0.0 109.956 179.971 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 57' ' ' ALA . . . -105.62 77.45 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.19 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -89.71 72.15 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.104 179.914 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' VAL . 2.8 t -109.96 157.38 19.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 -179.954 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.7 p -117.61 145.24 44.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.349 1.03 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.409 HD21 ' OG ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -148.61 175.36 11.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.616 1.198 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.4 m -105.18 129.97 53.45 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.561 1.163 . . . . 0.0 110.418 179.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.499 ' CG2' HG23 ' A' ' 19' ' ' VAL . 19.1 t -87.67 92.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.912 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.444 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 1.3 mmt180 -86.92 74.16 9.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.458 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 1.7 ttm180 -40.02 -39.15 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.627 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 14.9 t -104.16 133.36 49.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.618 1.199 . . . . 0.0 109.944 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 72' ' ' SER . 0.4 OUTLIER 160.29 127.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 49' ' ' PRO . 37.1 tt0 -82.02 106.89 14.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.676 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -93.5 -142.11 11.59 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 11.1 m-85 -129.67 151.78 49.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 0.776 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.537 ' HA ' ' CB ' ' A' ' 46' ' ' ALA . 1.2 mt -90.5 177.47 6.36 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.411 1.07 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.595 ' CD2' ' O5 ' ' A' ' 130' ' ' NCZ . 7.2 t80 -64.08 -27.94 69.44 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.613 1.196 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.64 -60.82 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.5 -27.13 0.2 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.72 157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.436 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 3.9 mtp-105 -98.77 77.52 2.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.676 ' O ' ' N ' ' A' ' 75' ' ' GLY . 1.8 t90 -112.66 -83.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.657 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 55.11 130.68 0.01 OUTLIER Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 84' ' ' GLY . 1.6 m 15.83 -82.79 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.603 0.825 . . . . 0.0 110.319 -179.942 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.657 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.4 OUTLIER 88.55 -40.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 109.204 179.927 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.486 ' N ' HG12 ' A' ' 86' ' ' VAL . 10.5 t0 -159.39 89.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.243 -179.944 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.458 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -69.13 62.04 0.12 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.386 1.054 . . . . 0.0 108.342 179.92 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 87' ' ' ASP . 14.7 t -104.26 -11.89 16.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 0.0 110.426 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.0 m -143.29 -44.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.374 1.046 . . . . 0.0 110.442 179.92 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.4 138.52 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.897 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.81 108.96 20.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.2 m -83.33 123.75 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.399 1.062 . . . . 0.0 108.343 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.51 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 14.3 mt-30 -90.81 111.34 22.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.148 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 3.6 t -87.14 111.58 21.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.23 170.81 37.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.4 1.063 . . . . 0.0 111.071 -179.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.61 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -105.87 117.5 34.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 0.729 . . . . 0.0 109.37 179.879 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.419 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 3.7 p -104.61 147.93 27.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.668 ' N ' ' CD2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -44.56 163.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 -179.942 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.9 3.41 22.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.396 1.06 . . . . 0.0 109.231 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.1 -19.19 21.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.615 1.197 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.86 52.22 2.48 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.515 1.134 . . . . 0.0 111.113 -179.871 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 6.8 p30 -149.87 164.52 35.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.48 104.36 2.0 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.475 1.109 . . . . 0.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.485 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.0 Cg_endo -75.15 50.66 2.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.449 1.763 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -90.6 126.04 35.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.403 ' C ' ' HB3' ' A' ' 94' ' ' GLN . . . 158.58 145.83 4.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 110' ' ' ILE . 3.6 p -105.58 129.24 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.35 0.676 . . . . 0.0 109.35 179.902 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.45 81.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.611 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.5 OUTLIER -104.97 141.17 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.625 ' O ' ' C ' ' A' ' 112' ' ' PHE . 2.9 p 150.06 -56.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.625 ' C ' ' O ' ' A' ' 111' ' ' SER . 1.8 m-85 13.56 81.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 t30 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.233 -179.92 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.637 ' C10' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.403 ' O ' ' OG1' ' A' ' 4' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.655 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . . . 71.34 -170.38 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.501 1.125 . . . . 0.0 109.225 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.655 ' CD ' ' CB ' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -75.05 -2.96 13.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.512 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 42.9 p -50.78 -175.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.13 122.48 8.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.366 -179.97 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.8 143.58 49.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.501 ' CG1' ' HB ' ' A' ' 19' ' ' VAL . 4.7 t -83.83 119.35 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.705 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -61.82 -67.84 0.97 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 110.484 179.899 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.705 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.0 52.81 3.16 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.509 1.794 . . . . 0.0 111.054 179.911 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 8.6 p -87.92 -2.23 58.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.935 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.481 ' HA ' ' HA ' ' A' ' 112' ' ' PHE . 11.0 t -85.19 124.52 31.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.99 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 33.07 47.16 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.581 1.176 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.488 ' CD2' HG13 ' A' ' 110' ' ' ILE . 1.0 OUTLIER -59.85 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.43 0.724 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -136.46 153.14 51.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.007 -179.967 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 0.6 OUTLIER -63.56 82.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.975 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.521 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 121.71 32.25 1.04 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 179.916 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -95.38 130.44 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 110.391 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -73.39 115.84 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.587 HG21 ' CG2' ' A' ' 69' ' ' VAL . 20.7 m -119.85 160.32 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.612 1.195 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -109.43 118.19 36.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.235 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -99.92 86.46 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -120.94 132.72 55.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.512 ' HA3' ' O ' ' A' ' 4' ' ' THR . . . 177.56 -169.28 41.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 61' ' ' GLY . . . -145.79 150.05 35.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.348 -179.932 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.35 14.04 7.22 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.533 ' CD1' ' OE1' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -105.25 -141.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 0.712 . . . . 0.0 109.375 179.986 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.634 ' NE2' ' CZ ' ' A' ' 32' ' ' TYR . 1.6 mm100 -53.78 92.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.863 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.503 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . -59.12 79.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.428 1.08 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 82.51 3.28 90.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.516 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.77 -175.18 4.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 0.747 . . . . 0.0 110.371 -179.998 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.527 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -141.67 114.45 8.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.378 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.634 ' CZ ' ' NE2' ' A' ' 27' ' ' GLN . 4.5 m-30 -116.63 179.14 4.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -96.44 113.88 25.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.175 . . . . 0.0 109.338 -179.93 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.414 HG11 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -80.69 137.89 20.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 -179.88 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.587 ' HA3' ' O ' ' A' ' 51' ' ' ASP . . . 178.44 157.97 20.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.332 1.02 . . . . 0.0 110.997 179.94 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.554 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -92.7 99.38 12.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 0.764 . . . . 0.0 110.214 -179.894 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.646 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 3.3 t -106.23 151.84 24.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.385 1.053 . . . . 0.0 108.404 179.888 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 178.38 155.14 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -57.87 110.86 0.99 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.527 1.142 . . . . 0.0 108.048 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.674 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -97.33 -42.53 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.424 1.078 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.489 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -90.4 -160.63 0.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -66.45 76.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 0.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.35 14.98 74.71 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.605 1.19 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 77.9 t -92.38 116.01 32.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.535 0.785 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.5 mt -61.99 102.42 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.572 ' CB ' ' CG1' ' A' ' 40' ' ' VAL . . . -114.53 136.54 52.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.597 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 28.2 m -100.85 156.54 17.31 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 108.306 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.504 ' N ' HD21 ' A' ' 48' ' ' ASN . 1.2 m-80 -84.74 165.68 36.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.08 -12.69 21.37 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.787 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.7 14.95 26.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.065 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.984 ' HD2' ' C8 ' ' A' ' 130' ' ' NCZ . 0.0 OUTLIER -89.77 12.35 17.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -107.24 91.34 3.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.971 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 54' ' ' SER . 0.3 OUTLIER -151.68 86.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.991 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 53' ' ' SER . 6.4 t -37.26 149.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.509 HG21 ' CG2' ' A' ' 65' ' ' THR . 2.3 t -154.96 147.85 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.924 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.527 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -131.39 132.94 44.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.44 179.933 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.424 ' O ' ' HA2' ' A' ' 29' ' ' GLY . . . -103.27 141.84 35.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.655 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -60.08 158.99 10.13 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.566 1.166 . . . . 0.0 109.374 179.946 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.52 -33.19 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 109.383 179.926 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' ASP . 34.1 t30 -87.88 34.73 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.78 37.19 2.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.64 1.212 . . . . 0.0 111.081 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.411 ' CB ' ' OD1' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -93.1 108.27 19.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 0.793 . . . . 0.0 110.05 179.937 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.28 106.06 16.38 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 4.1 m -110.85 62.13 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.051 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.509 ' CG2' HG21 ' A' ' 55' ' ' VAL . 35.2 m -110.08 150.14 29.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.432 ' N ' HG21 ' A' ' 65' ' ' THR . 60.1 p -126.94 147.67 50.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.42 HD22 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -159.38 179.45 8.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 109.291 -179.954 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.52 ' CG2' ' C ' ' A' ' 16' ' ' GLY . 85.4 m -105.27 128.79 53.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.473 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.587 ' CG2' HG21 ' A' ' 19' ' ' VAL . 19.4 t -86.73 89.38 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.851 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.521 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -86.96 66.61 9.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.353 179.957 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.419 ' HD2' ' CA ' ' A' ' 89' ' ' THR . 21.1 ttp180 -39.18 -37.27 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.477 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 4.7 p -80.88 124.53 29.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 110.047 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.509 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 167.52 171.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 179.978 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.496 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 8.6 tt0 -81.04 122.41 27.28 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.479 1.112 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.73 150.86 40.31 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.416 1.073 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 2.4 t80 -136.02 113.53 10.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.743 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.411 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 3.2 mt -55.18 152.93 7.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.4 ' CD1' ' H12' ' A' ' 130' ' ' NCZ . 1.7 t80 -80.01 -29.57 39.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.363 1.04 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -48.11 79.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.34 -27.32 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.6 m -78.67 163.39 25.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 110.403 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -117.78 146.52 43.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.674 ' CD1' HG12 ' A' ' 40' ' ' VAL . 66.1 t-105 -101.82 -86.96 0.41 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.494 1.121 . . . . 0.0 108.001 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.597 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 135.41 -113.81 1.15 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.597 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 4.3 m 89.31 -63.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.609 0.829 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.502 ' CG2' ' C ' ' A' ' 85' ' ' THR . 2.7 t 84.82 -14.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -141.54 96.92 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 14.7 t -82.1 54.18 2.44 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.467 1.104 . . . . 0.0 108.33 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.419 ' CA ' ' HD2' ' A' ' 71' ' ' ARG . 7.0 t -96.34 -13.26 23.41 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.912 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.433 ' CG2' ' N ' ' A' ' 91' ' ' ALA . 9.8 t -88.36 -54.32 4.25 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.395 1.06 . . . . 0.0 110.506 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.433 ' N ' ' CG2' ' A' ' 90' ' ' THR . . . -91.79 136.07 33.43 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 179.862 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.43 116.58 9.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -88.28 126.25 35.08 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.435 1.084 . . . . 0.0 108.264 -179.965 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 29.9 mt-30 -105.98 120.75 42.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.381 1.051 . . . . 0.0 110.235 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.554 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 1.7 t -89.43 111.43 22.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -157.19 172.93 34.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -106.37 122.26 45.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.449 ' OG ' ' C5 ' ' A' ' 130' ' ' NCZ . 21.4 m -87.91 159.3 18.41 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.561 ' CG ' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.78 166.51 20.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.583 1.177 . . . . 0.0 109.377 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.99 8.29 15.73 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -99.74 -63.61 1.11 Allowed 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.405 ' O ' ' O5 ' ' A' ' 130' ' ' NCZ . . . 142.1 40.89 0.07 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.563 1.164 . . . . 0.0 110.954 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.441 ' N ' ' H6 ' ' A' ' 130' ' ' NCZ . 0.4 OUTLIER -151.69 132.5 14.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 0.724 . . . . 0.0 109.388 179.862 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 146.33 73.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.902 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.483 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.5 Cg_endo -75.06 0.03 9.42 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.544 1.813 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.23 138.44 55.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.9 143.13 5.68 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.418 1.074 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.423 HG11 HD11 ' A' ' 110' ' ' ILE . 2.8 p -68.76 128.97 33.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.574 0.808 . . . . 0.0 109.191 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.6 98.87 0.92 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.935 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.603 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -84.58 129.9 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.603 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.9 m 150.87 -78.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.371 1.044 . . . . 0.0 110.091 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.481 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 6.8 p90 -146.87 134.36 20.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 111.017 179.921 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 28.0 t30 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.982 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.984 ' C8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.586 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . -176.53 -60.42 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.397 0 O-C-N 124.459 1.099 . . . . 0.0 109.219 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.586 ' HD3' ' CB ' ' A' ' 2' ' ' ALA . 18.1 Cg_endo -75.06 147.32 33.54 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.531 1.806 . . . . 0.0 110.945 -179.889 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.573 ' O ' ' CG2' ' A' ' 6' ' ' THR . 19.2 p 40.11 -154.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.563 ' HA ' ' CA ' ' A' ' 23' ' ' GLY . . . -45.74 132.69 8.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.578 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 50.4 p -139.47 166.57 24.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 110.351 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.571 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.5 t -120.08 121.55 66.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.232 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.711 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -32.74 -67.66 0.18 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.473 179.907 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.711 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.6 Cg_endo -74.87 -162.0 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 179.913 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -139.45 -43.19 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.923 -179.974 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 111' ' ' SER . 58.3 m -64.43 73.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 10' ' ' SER . . . -49.65 -32.1 16.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -76.45 69.26 2.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.665 ' O ' ' C ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -132.41 78.84 1.83 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.501 1.126 . . . . 0.0 109.871 -179.932 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.665 ' C ' ' O ' ' A' ' 14' ' ' SER . 10.4 p-10 15.88 63.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.49 ' O ' ' CG2' ' A' ' 68' ' ' THR . . . 52.59 69.47 1.18 Allowed Glycine 0 CA--C 1.532 1.153 0 O-C-N 124.582 1.176 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.471 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.3 OUTLIER -71.69 136.77 47.39 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.668 0.864 . . . . 0.0 110.324 -179.928 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.461 HG21 ' CG2' ' A' ' 68' ' ' THR . 1.8 t -104.01 119.61 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.51 ' CG1' ' HG3' ' A' ' 9' ' ' PRO . 5.1 m -144.64 -166.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.617 1.198 . . . . 0.0 109.307 179.914 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.64 141.64 35.69 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' A' ' 6' ' ' THR . 10.5 t -113.18 85.31 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -89.4 129.9 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.563 ' CA ' ' HA ' ' A' ' 5' ' ' ALA . . . -121.29 122.08 5.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.68 101.44 12.62 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.594 0.82 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.536 ' O ' ' O ' ' A' ' 26' ' ' LEU . . . 96.57 38.16 4.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.414 1.071 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.536 ' O ' ' O ' ' A' ' 25' ' ' GLY . 0.4 OUTLIER -56.88 -140.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.752 . . . . 0.0 109.215 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.61 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 8.4 tp-100 -82.38 40.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 74.93 -9.7 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 109.241 179.939 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.56 ' HA2' ' CB ' ' A' ' 57' ' ' ALA . . . 120.47 8.16 8.58 Favored Glycine 0 CA--C 1.527 0.804 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 27' ' ' GLN . 4.3 m -60.35 -152.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.373 0.69 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.602 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -137.57 136.91 38.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.909 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.61 ' CE2' ' HG2' ' A' ' 27' ' ' GLN . 5.6 m-30 -150.68 -178.52 6.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.45 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 24.6 t70 -102.1 111.25 23.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.602 1.189 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.529 ' CG1' ' CD1' ' A' ' 67' ' ' LEU . 1.1 t -76.12 143.08 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 0.0 109.351 179.917 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.617 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 168.92 161.21 18.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.473 ' NE2' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -95.06 103.43 15.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 0.711 . . . . 0.0 110.271 179.905 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.611 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 3.6 t -107.16 154.42 21.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.618 1.199 . . . . 0.0 108.358 179.844 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 176.19 159.65 0.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.497 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 21.4 p-90 -59.07 98.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.626 HG11 ' CD1' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -82.75 -47.61 18.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.606 ' CG ' ' CE3' ' A' ' 83' ' ' TRP . 7.7 t0 -91.02 -150.21 0.23 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.147 . . . . 0.0 109.357 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -77.34 88.84 3.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 179.944 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.59 24.27 63.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.488 ' CG1' HD11 ' A' ' 77' ' ' LEU . 47.6 t -103.75 100.99 11.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.523 0.779 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.491 HD22 ' C17' ' A' ' 130' ' ' NCZ . 1.5 mt -56.79 87.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.491 ' CB ' ' HB ' ' A' ' 40' ' ' VAL . . . -100.13 153.1 19.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.869 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.605 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 3.8 m -113.62 151.36 31.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 108.326 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.529 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -75.86 170.12 17.4 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.59 1.181 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.546 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.91 -11.28 21.65 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.521 1.801 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.23 14.22 25.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.911 ' HD2' ' C8 ' ' A' ' 130' ' ' NCZ . 0.4 OUTLIER -89.22 8.31 30.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -107.45 94.86 5.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.641 1.213 . . . . 0.0 111.08 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.406 ' CB ' ' CD1' ' A' ' 67' ' ' LEU . 4.4 t -150.9 85.76 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.896 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -48.88 142.43 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.632 1.207 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.442 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -164.69 173.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.611 1.194 . . . . 0.0 109.27 179.958 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.566 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -145.07 158.28 43.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 179.988 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.56 ' CB ' ' HA2' ' A' ' 29' ' ' GLY . . . -104.93 149.59 25.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.376 1.048 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.9 OUTLIER -68.24 159.26 31.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.61 -37.39 0.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.378 -179.956 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -87.34 38.39 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.334 1.021 . . . . 0.0 109.228 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.38 41.0 2.87 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.492 1.12 . . . . 0.0 110.867 179.872 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 53.5 m -103.96 98.3 8.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -104.33 96.63 6.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 12.2 p -106.11 77.78 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.442 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 5.7 t -108.38 130.53 55.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.284 -179.924 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.0 p -91.68 131.81 36.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.064 . . . . 0.0 110.079 179.877 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.529 ' CD1' ' CG1' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -149.41 179.79 7.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 -179.957 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 16' ' ' GLY . 22.8 m -105.91 132.15 52.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.421 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 69' ' ' VAL . 7.7 p -89.95 85.44 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -92.83 118.34 31.0 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.364 1.04 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.437 ' CZ ' HG23 ' A' ' 89' ' ' THR . 42.1 ttp180 -90.04 -33.93 16.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.582 1.176 . . . . 0.0 110.386 179.956 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.559 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 83.3 p -96.08 114.98 26.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.609 1.193 . . . . 0.0 109.96 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.503 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -177.86 165.96 2.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.545 1.153 . . . . 0.0 110.885 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.427 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 0.8 OUTLIER -81.11 110.27 16.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.605 1.191 . . . . 0.0 110.227 -179.951 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.22 161.82 45.53 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.602 1.189 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.411 ' C ' ' HB1' ' A' ' 46' ' ' ALA . 42.7 m-85 -130.37 133.28 46.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 111.041 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.488 HD11 ' CG1' ' A' ' 44' ' ' VAL . 1.1 mm? -71.27 138.71 49.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.391 1.057 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.69 -25.78 65.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 179.891 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -52.93 -53.7 45.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.629 1.205 . . . . 0.0 109.345 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.36 -26.43 0.35 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.2 m -84.24 166.53 17.44 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.577 0.81 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -110.02 141.48 42.77 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.583 1.177 . . . . 0.0 110.192 179.939 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.626 ' CD1' HG11 ' A' ' 40' ' ' VAL . 37.7 t-105 -103.37 -89.98 0.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.466 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 148.38 -77.64 0.24 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.434 1.084 . . . . 0.0 111.079 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.567 ' OG1' ' CD1' ' A' ' 83' ' ' TRP . 7.5 m 67.7 -55.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 0.0 110.369 179.901 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' A' ' 72' ' ' SER . 88.7 t 71.68 -104.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -59.07 91.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.401 179.93 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 52.6 t -75.57 59.85 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 108.277 -179.9 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.437 HG23 ' CZ ' ' A' ' 71' ' ' ARG . 54.8 p -102.81 -15.92 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 -179.931 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 91' ' ' ALA . 9.1 t -88.96 -55.06 3.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.432 179.909 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.42 135.5 33.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -72.43 118.71 15.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.344 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.474 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -90.64 121.98 33.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 0.0 108.267 179.927 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.467 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 3.3 pt20 -103.15 122.13 44.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.481 ' CG2' HG22 ' A' ' 110' ' ' ILE . 1.9 t -87.86 114.34 26.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.419 ' O ' H182 ' A' ' 130' ' ' NCZ . . . -164.6 179.15 39.5 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.572 1.17 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.476 HD21 ' CD2' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -106.45 125.9 51.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 0.72 . . . . 0.0 109.34 179.919 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 99.1 p -85.12 154.23 22.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.598 1.186 . . . . 0.0 109.961 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.582 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -88.82 162.35 16.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.97 14.34 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.93 -84.84 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.422 ' C ' ' ND2' ' A' ' 103' ' ' ASN . . . 174.15 47.54 0.05 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.422 ' ND2' ' C ' ' A' ' 102' ' ' GLY . 0.3 OUTLIER -137.33 157.38 46.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.428 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -136.91 62.03 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.444 1.09 . . . . 0.0 111.062 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.5 Cg_endo -74.86 -37.89 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.448 ' HG2' ' CD1' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -85.53 147.53 26.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.227 -179.868 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.95 119.7 2.09 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 8.5 p -106.18 122.45 59.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.78 88.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.921 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.514 ' O ' ' CB ' ' A' ' 111' ' ' SER . 2.4 tp -92.1 160.24 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.5 OUTLIER 158.12 -60.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 109.953 179.985 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.484 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 34.8 p90 -144.33 117.07 8.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.476 ' CA ' ' HB3' ' A' ' 10' ' ' SER . 48.1 p-10 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.634 1.209 . . . . 0.0 109.218 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 1.513 ' H12' ' C12' ' A' ' 130' ' ' NCZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.527 ' N ' ' CD ' ' A' ' 3' ' ' PRO . . . 162.23 -51.46 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.924 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 2' ' ' ALA . 18.4 Cg_endo -74.98 116.92 4.73 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.476 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.2 p 45.43 -170.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.455 179.944 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.406 ' N ' ' HA2' ' A' ' 23' ' ' GLY . . . -65.26 111.01 2.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.098 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.416 ' C ' HG11 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -149.13 146.96 27.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 110.431 -179.958 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.446 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 2.0 t -74.43 135.74 26.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.479 1.112 . . . . 0.0 109.214 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.544 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -41.93 -59.37 2.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.402 179.967 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.544 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.0 Cg_endo -74.92 -160.34 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.534 1.808 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 111' ' ' SER . 0.6 OUTLIER -137.99 -45.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.442 ' HA ' ' HB3' ' A' ' 111' ' ' SER . 0.5 OUTLIER -71.72 59.81 0.34 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.447 1.092 . . . . 0.0 110.019 179.966 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -46.31 -29.06 3.52 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.62 1.2 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 111' ' ' SER . 2.2 pp -59.93 77.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.569 0.805 . . . . 0.0 109.346 179.915 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.573 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -150.33 130.26 13.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 110.106 -179.983 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -35.84 92.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 38.73 67.26 0.57 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.503 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.3 OUTLIER -70.78 123.33 21.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.741 . . . . 0.0 110.363 179.976 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -92.53 115.94 32.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.496 ' CG1' ' HG3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -142.32 -171.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.403 1.065 . . . . 0.0 109.309 179.943 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -115.3 132.54 56.58 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.647 1.217 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.416 HG11 ' C ' ' A' ' 6' ' ' THR . 61.5 t -106.66 104.84 17.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.936 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -87.43 131.11 34.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.224 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -118.81 75.44 0.3 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.25 130.22 35.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.403 0.707 . . . . 0.0 109.246 -179.916 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 55.5 35.72 62.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.588 1.18 . . . . 0.0 111.057 -179.951 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.504 ' CD1' ' N ' ' A' ' 27' ' ' GLN . 3.3 tm? -106.65 -96.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.627 ' CG ' ' CD1' ' A' ' 32' ' ' TYR . 1.3 tp-100 -47.89 -22.15 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.618 1.199 . . . . 0.0 110.393 179.951 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 74.53 -2.27 2.86 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.368 1.043 . . . . 0.0 109.41 -179.92 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 120.69 -2.91 12.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.418 1.074 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.402 ' HB ' ' HG3' ' A' ' 27' ' ' GLN . 1.7 m -67.44 -155.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 0.815 . . . . 0.0 110.436 -179.993 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.527 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -138.9 114.81 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.392 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.627 ' CD1' ' CG ' ' A' ' 27' ' ' GLN . 8.4 m-85 -131.11 152.5 50.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 1.2 t70 -96.66 128.49 43.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 53' ' ' SER . 2.2 p -76.58 141.73 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.653 1.221 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.44 ' O ' ' C7 ' ' A' ' 130' ' ' NCZ . . . 178.95 109.79 0.26 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.42 1.075 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.595 HE21 ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -60.85 102.98 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.563 ' HB2' ' C6 ' ' A' ' 130' ' ' NCZ . 0.5 OUTLIER -104.66 152.32 22.62 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.523 1.139 . . . . 0.0 108.271 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.503 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 177.62 157.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.382 1.051 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.541 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 34.6 p-90 -61.86 85.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.572 ' CG1' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -77.52 -48.15 24.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.489 1.118 . . . . 0.0 109.194 -179.91 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.512 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 6.0 t0 -74.36 -151.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.935 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.504 ' O ' ' CG2' ' A' ' 42' ' ' THR . 12.0 t -84.97 60.66 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 110.459 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.66 10.37 53.21 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.512 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 2.8 t -97.71 114.33 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.455 ' CD1' H172 ' A' ' 130' ' ' NCZ . 0.4 OUTLIER -67.32 89.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.587 ' CB ' HD12 ' A' ' 77' ' ' LEU . . . -95.93 140.48 30.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.552 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 31.4 m -97.82 153.24 18.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.609 1.193 . . . . 0.0 108.299 179.938 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.595 ' CB ' HE21 ' A' ' 36' ' ' GLN . 1.9 m-80 -94.03 122.45 61.82 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.421 179.958 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.495 ' CD ' ' O ' ' A' ' 74' ' ' GLU . 18.1 Cg_endo -74.93 6.25 3.47 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.549 1.815 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.609 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . . . -105.72 4.14 29.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.213 179.99 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.546 ' HB2' ' CD ' ' A' ' 36' ' ' GLN . 14.1 t70 -127.07 15.34 7.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.455 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 2.9 m-85 -82.73 111.53 18.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 111.062 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.47 ' HB3' ' CG1' ' A' ' 34' ' ' VAL . 4.7 t -153.01 99.13 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.92 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.536 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 63.4 p -58.8 132.15 53.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 110.048 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 56' ' ' THR . 47.3 t -152.45 164.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.241 -179.904 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.527 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -130.72 162.8 28.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.44 ' O ' ' HA2' ' A' ' 29' ' ' GLY . . . -107.55 154.01 22.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.24 179.958 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -77.34 159.06 29.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.612 1.195 . . . . 0.0 109.327 -179.902 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.94 -27.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.934 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.464 ' N ' ' C ' ' A' ' 58' ' ' ASP . 1.4 t-20 -88.1 32.25 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.648 1.217 . . . . 0.0 109.359 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.05 44.23 5.78 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.463 1.102 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -110.53 101.64 10.3 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.535 0.785 . . . . 0.0 110.011 -179.991 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.444 ' HB3' ' CD1' ' A' ' 97' ' ' LEU . . . -105.52 93.9 4.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.8 p -94.9 87.71 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 110.047 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.454 HG23 ' CD2' ' A' ' 97' ' ' LEU . 14.4 t -105.85 119.3 38.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.38 1.05 . . . . 0.0 110.44 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.2 p -102.95 136.4 42.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.884 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' CD1' ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -168.25 179.94 4.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.416 1.072 . . . . 0.0 109.254 179.926 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.411 ' H ' ' CD1' ' A' ' 67' ' ' LEU . 12.5 t -102.04 139.39 37.73 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.601 1.188 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 69' ' ' VAL . 3.4 p -88.04 88.48 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.467 ' HB2' ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -88.79 101.04 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.24 -179.919 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 88' ' ' CYS . 5.7 ttm-85 -81.18 -24.17 37.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 62.0 p -95.26 106.08 18.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.609 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER 175.43 170.49 0.33 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.566 1.166 . . . . 0.0 111.077 -179.964 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.495 ' O ' ' CD ' ' A' ' 49' ' ' PRO . 3.4 tt0 -79.27 128.23 33.05 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.629 1.206 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.37 160.11 41.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -118.11 103.6 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 0.795 . . . . 0.0 110.893 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -83.9 175.95 9.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.405 1.066 . . . . 0.0 109.359 179.897 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -90.21 -33.49 16.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.398 1.061 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -97.34 -24.23 15.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 -179.974 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.547 ' O ' ' C ' ' A' ' 81' ' ' THR . . . -142.75 58.36 0.55 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.58 1.175 . . . . 0.0 111.047 179.881 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.547 ' C ' ' O ' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -25.49 -93.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 110.429 -179.904 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.514 ' N ' ' OG1' ' A' ' 81' ' ' THR . 3.9 ptm180 -53.2 84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.531 ' HB3' ' CD1' ' A' ' 77' ' ' LEU . 14.4 t-105 -96.46 -87.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 107.971 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 161.41 -114.14 0.6 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.582 1.176 . . . . 0.0 111.055 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.525 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 6.7 m 83.55 -57.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.453 0.737 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 85' ' ' THR . 96.1 t 70.86 -103.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.01 105.79 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.392 1.057 . . . . 0.0 109.385 179.939 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.512 ' O ' ' CD ' ' A' ' 71' ' ' ARG . 4.0 t -89.59 64.39 6.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 108.405 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.79 -8.3 19.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.855 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.5 m -89.3 -56.9 3.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.272 0.982 . . . . 0.0 110.376 -179.947 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.5 139.09 31.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.561 1.163 . . . . 0.0 109.37 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.591 ' HA ' ' CD1' ' A' ' 112' ' ' PHE . . . -70.83 114.73 9.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.931 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.503 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -84.72 125.09 32.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 108.26 179.982 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.511 ' O ' ' CG ' ' A' ' 94' ' ' GLN . 2.4 pt20 -104.93 119.17 38.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 3.4 t -89.05 129.59 39.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.75 173.48 45.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.395 1.059 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.473 ' HB2' ' NE2' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -103.27 124.78 49.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.434 0.726 . . . . 0.0 109.236 -179.952 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.457 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 27.7 p -105.12 162.85 13.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.491 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -95.27 161.27 14.17 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.554 1.159 . . . . 0.0 109.19 -179.939 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.87 16.56 7.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.96 -24.94 12.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 179.962 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.28 54.15 2.04 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.596 1.185 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.421 ' HB2' ' HD2' ' A' ' 99' ' ' ASP . 17.4 m120 -116.47 148.09 41.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.586 0.816 . . . . 0.0 109.284 -179.921 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.22 98.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.055 179.894 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.519 ' HG2' ' C2 ' ' A' ' 130' ' ' NCZ . 18.5 Cg_endo -74.99 140.1 25.1 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.792 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.12 114.86 27.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -137.32 150.29 20.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.572 1.17 . . . . 0.0 110.948 -179.891 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 1.6 p -104.71 131.58 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.391 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.6 97.74 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.379 1.05 . . . . 0.0 109.215 -179.911 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 112' ' ' PHE . 6.6 tp -69.17 157.41 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.512 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -63.5 68.34 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.471 1.107 . . . . 0.0 110.062 179.905 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.591 ' CD1' ' HA ' ' A' ' 92' ' ' ALA . 55.1 p90 -52.55 142.8 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 111.075 -180.0 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 112' ' ' PHE . 8.0 m-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.563 ' C6 ' ' HB2' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.23 67.47 4.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.617 1.198 . . . . 0.0 109.338 -179.93 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.407 ' C ' HG22 ' A' ' 4' ' ' THR . 18.1 Cg_endo -74.91 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 -179.921 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.51 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.3 p 53.33 -159.11 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.464 ' CB ' HD21 ' A' ' 26' ' ' LEU . . . -69.84 125.57 27.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -150.46 146.73 26.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.35 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.531 ' CG2' HD13 ' A' ' 110' ' ' ILE . 0.9 OUTLIER -75.59 130.66 35.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.378 179.935 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.795 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -37.37 -73.09 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.362 -179.959 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.795 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.87 -98.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.412 1.743 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 7.6 m -154.91 -26.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.89 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.479 ' CB ' HG13 ' A' ' 110' ' ' ILE . 1.2 m 49.01 -175.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.502 ' CA ' HG22 ' A' ' 110' ' ' ILE . . . 86.34 -43.49 3.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.427 1.079 . . . . 0.0 110.973 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.486 ' CD2' ' HA ' ' A' ' 113' ' ' ASN . 1.0 OUTLIER -44.56 -32.63 1.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 0.783 . . . . 0.0 109.387 -179.969 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.4 t -132.03 122.78 26.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.656 1.222 . . . . 0.0 110.024 179.909 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.419 ' C ' ' HA ' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -65.31 63.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 160.09 32.45 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.563 1.165 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 m -89.44 110.17 21.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 0.721 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 t -90.0 119.11 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.217 -179.955 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.525 HG12 ' CG ' ' A' ' 9' ' ' PRO . 34.5 m -138.22 -177.99 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.919 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -103.41 130.77 50.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 65' ' ' THR . 2.5 t -107.38 98.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.232 -179.919 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.55 131.36 36.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.51 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -116.76 98.49 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.339 1.025 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.24 108.48 19.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.78 . . . . 0.0 109.238 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.39 34.39 45.53 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.51 1.131 . . . . 0.0 111.071 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.566 HD23 ' CZ ' ' A' ' 32' ' ' TYR . 4.6 tp -61.52 -120.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.467 ' O ' ' OG1' ' A' ' 30' ' ' THR . 1.3 tp60 -79.89 24.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.441 ' H ' ' C ' ' A' ' 26' ' ' LEU . . . 76.3 -11.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 179.874 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.544 ' HA2' ' CB ' ' A' ' 57' ' ' ALA . . . 129.62 -2.26 6.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 -179.91 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 27' ' ' GLN . 1.5 m -59.05 -156.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 0.709 . . . . 0.0 110.347 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.463 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -131.49 144.31 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 109.427 179.801 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.686 ' CD1' ' O ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -151.61 -173.02 4.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.939 -179.951 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.47 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 22.2 t0 -106.7 108.5 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.918 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' A' ' 53' ' ' SER . 1.0 OUTLIER -79.68 142.08 14.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.927 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.612 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 167.28 161.01 15.59 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -95.04 102.03 13.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 0.787 . . . . 0.0 110.259 -179.995 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.642 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 3.8 t -107.06 154.71 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 108.338 179.908 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.491 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 179.03 164.69 0.88 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.921 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 56.1 p-90 -72.55 115.08 11.39 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.914 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.637 HG12 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -99.9 -47.43 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.183 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.614 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.2 OUTLIER -87.49 -165.35 1.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.949 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.8 m -59.35 87.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.43 20.83 31.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.556 1.16 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.493 ' CG1' HD21 ' A' ' 77' ' ' LEU . 61.4 t -95.72 116.41 37.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.79 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.9 108.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -121.26 134.66 55.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.575 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 34.1 m -99.34 155.92 17.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 108.233 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 73' ' ' PHE . 1.5 m120 -83.75 167.61 27.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.4 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.572 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.03 -12.41 21.45 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.451 1.764 . . . . 0.0 111.059 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.13 13.72 27.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.604 1.19 . . . . 0.0 109.223 179.991 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.695 ' HD2' ' H8 ' ' A' ' 130' ' ' NCZ . 0.5 OUTLIER -89.62 7.26 37.42 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.574 1.171 . . . . 0.0 109.366 179.869 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.7 m-85 -106.51 91.51 3.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.431 ' OG ' HD12 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -149.58 90.86 1.75 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.528 1.142 . . . . 0.0 109.97 -179.911 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.0 p -48.64 121.63 4.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.686 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 19.0 t -136.75 149.47 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.207 179.956 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.642 ' N ' HG11 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -130.35 157.95 41.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.367 -179.926 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.544 ' CB ' ' HA2' ' A' ' 29' ' ' GLY . . . -105.5 148.25 27.42 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.639 ' O ' ' N ' ' A' ' 61' ' ' GLY . 1.4 m-20 -64.28 161.37 16.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.89 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.78 -37.71 0.36 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.498 1.123 . . . . 0.0 109.37 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -88.08 37.39 0.81 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.417 1.073 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.28 43.01 3.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -108.98 102.66 11.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.897 -179.885 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.496 ' CB ' ' OH ' ' A' ' 32' ' ' TYR . . . -105.76 93.84 4.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.23 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.9 p -102.27 71.89 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 179.964 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.42 ' O ' ' HB ' ' A' ' 21' ' ' VAL . 85.7 m -109.14 136.27 48.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.2 p -98.47 135.71 39.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.079 -179.973 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.431 HD12 ' OG ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -140.31 170.01 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.982 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.41 HG21 ' O ' ' A' ' 68' ' ' THR . 9.7 t -102.67 123.84 47.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 110.414 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.468 HG23 ' CB ' ' A' ' 11' ' ' SER . 46.0 t -89.19 89.29 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 109.212 -179.901 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.685 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 2.9 mtt85 -98.28 74.69 2.22 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.573 1.17 . . . . 0.0 110.29 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.539 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -38.06 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.978 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.502 ' C ' ' CG ' ' A' ' 73' ' ' PHE . 3.2 m -89.42 136.2 33.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.073 179.908 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.685 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 162.87 178.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.06 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.613 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 30.4 tt0 -93.25 105.51 17.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.388 1.055 . . . . 0.0 110.282 -179.852 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.76 161.57 48.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.577 1.173 . . . . 0.0 111.081 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.613 ' CE2' ' O ' ' A' ' 74' ' ' GLU . 10.8 m-85 -142.19 131.81 23.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 0.717 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.493 HD21 ' CG1' ' A' ' 44' ' ' VAL . 21.2 mt -69.8 148.52 49.01 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -76.12 -24.27 54.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.67 -50.23 68.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.263 -179.863 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.76 -25.07 0.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.434 HG23 ' CD1' ' A' ' 77' ' ' LEU . 2.5 t -87.46 154.77 20.38 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.551 0.795 . . . . 0.0 110.463 179.889 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.57 148.16 26.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.397 1.061 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.637 ' CD1' HG12 ' A' ' 40' ' ' VAL . 41.4 t-105 -106.43 -85.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 108.002 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.486 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 127.3 -74.58 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.648 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 1.6 m 68.29 -59.21 0.45 Allowed 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.456 0.739 . . . . 0.0 110.472 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.648 ' CG2' ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 82.6 -24.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.389 1.056 . . . . 0.0 109.175 179.85 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.47 ' O ' ' CG2' ' A' ' 85' ' ' THR . 13.2 t0 -144.25 105.8 4.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.959 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 7.8 t -91.22 50.6 1.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 108.291 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.8 m -89.29 -16.09 31.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.447 179.977 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.4 m -87.03 -52.05 5.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.382 1.051 . . . . 0.0 110.538 179.841 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.431 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.44 144.04 26.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.51 111.38 13.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 179.934 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.491 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -84.83 123.48 30.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 108.319 179.959 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 6.0 mt-30 -99.83 120.84 40.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.492 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 5.3 t -89.26 109.32 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.921 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -161.71 178.72 37.47 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.643 1.215 . . . . 0.0 111.052 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -106.57 148.1 28.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.935 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.6 p -103.68 149.05 25.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.092 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.62 164.15 18.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.222 -179.819 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.08 23.29 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.1 -40.75 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 -179.933 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.471 ' C ' ' ND2' ' A' ' 103' ' ' ASN . . . 123.86 46.52 0.26 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.425 1.078 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.471 ' ND2' ' C ' ' A' ' 102' ' ' GLY . 0.2 OUTLIER -143.47 153.78 42.98 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.572 0.807 . . . . 0.0 109.284 179.915 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.476 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -139.75 59.76 0.58 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.431 1.082 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.6 Cg_endo -74.91 -22.64 14.8 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.437 1.756 . . . . 0.0 111.007 179.913 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.95 152.06 22.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.398 179.923 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 144.72 115.6 1.01 Allowed Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 8.2 p -82.48 132.99 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.397 0.704 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.26 92.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.581 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.9 OUTLIER -76.73 146.45 8.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.377 1.048 . . . . 0.0 109.379 179.945 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.2 m 152.83 -76.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.087 -179.883 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.521 ' O ' ' O ' ' A' ' 111' ' ' SER . 8.5 m-85 -42.32 173.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.585 1.178 . . . . 0.0 111.049 179.913 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.486 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 8.3 p-10 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.641 1.213 . . . . 0.0 109.363 179.907 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.695 ' H8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.84 65.27 7.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.403 ' O ' ' OG1' ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.93 -67.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 3' ' ' PRO . 1.9 p 57.93 -169.49 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 110.415 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.487 ' N ' ' HA2' ' A' ' 23' ' ' GLY . . . -55.83 104.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.45 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.453 HG22 ' CG2' ' A' ' 108' ' ' VAL . 1.1 p -140.17 148.79 42.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.178 . . . . 0.0 110.438 -179.904 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.582 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.6 t -80.57 126.57 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.767 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -30.95 -71.33 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 -179.96 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.767 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.0 -162.65 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 110.947 -179.907 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.436 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 78.7 p -132.64 -45.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.872 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.4 m -69.72 62.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.371 1.045 . . . . 0.0 110.065 179.937 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -58.16 -12.33 11.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.586 1.179 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.491 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 3.9 pp -69.0 59.07 0.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.508 0.77 . . . . 0.0 109.193 -179.876 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -131.26 123.11 27.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 109.933 -179.955 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 14' ' ' SER . 4.9 m-20 -33.12 93.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 45.54 69.29 0.81 Allowed Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.605 1.19 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.475 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -78.55 125.43 29.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 0.811 . . . . 0.0 110.429 179.947 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -91.05 117.11 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.479 ' CG2' HG11 ' A' ' 7' ' ' VAL . 7.6 m -139.87 -176.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.225 -179.935 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -117.32 130.49 56.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.398 179.97 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.9 t -100.35 102.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.387 1.054 . . . . 0.0 109.313 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.13 124.51 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.918 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' HA2' ' N ' ' A' ' 5' ' ' ALA . . . -110.68 67.71 0.22 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.606 1.191 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.57 131.67 41.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 70.97 18.27 76.17 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.495 1.122 . . . . 0.0 111.06 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 tp -74.43 -145.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.443 0.731 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.435 ' NE2' ' HG1' ' A' ' 30' ' ' THR . 2.9 mm100 -89.89 78.14 6.85 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.436 1.085 . . . . 0.0 110.175 -179.937 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.513 ' HB1' ' CA ' ' A' ' 61' ' ' GLY . . . -59.36 133.48 56.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.622 1.201 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.93 -26.84 8.93 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.936 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.447 ' O ' ' OG1' ' A' ' 56' ' ' THR . 0.1 OUTLIER -89.83 -179.19 5.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.429 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.616 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -153.83 146.47 24.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.382 1.051 . . . . 0.0 109.361 179.929 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 16.6 m-85 -149.51 178.48 8.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.502 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 14.7 t0 -105.66 118.53 36.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.491 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 1.5 t -81.2 146.58 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.586 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 177.86 162.39 27.76 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.469 ' CD ' ' OD1' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -94.21 88.89 5.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 0.731 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.57 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 5.3 t -105.74 152.79 22.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.391 1.057 . . . . 0.0 108.195 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.402 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -178.39 170.13 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.395 179.953 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.534 ' HA ' ' HA ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -86.72 115.22 24.03 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.653 ' CG2' ' CZ2' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -102.61 -49.77 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.505 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -85.03 -176.77 6.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.405 1.066 . . . . 0.0 109.267 -179.977 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.2 m -48.66 93.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.383 179.935 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 50.36 20.2 3.44 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.496 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 88.4 t -91.86 112.13 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.366 0.686 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 0.3 OUTLIER -77.44 103.72 7.54 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.521 1.138 . . . . 0.0 109.208 -179.931 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.618 ' HB1' ' CE3' ' A' ' 83' ' ' TRP . . . -115.07 142.65 46.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.55 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 3.3 m -107.81 147.57 30.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.611 1.194 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.481 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -79.37 172.65 9.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.383 179.958 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.549 ' CD ' ' HB3' ' A' ' 73' ' ' PHE . 18.2 Cg_endo -74.93 -15.91 20.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.27 15.2 28.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.978 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.928 ' HD2' ' H8 ' ' A' ' 130' ' ' NCZ . 1.1 t70 -90.26 15.49 10.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 12.8 m-85 -109.68 102.29 11.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.567 1.167 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.9 t -148.68 79.29 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.027 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.447 ' N ' ' OD2' ' A' ' 33' ' ' ASP . 99.6 p -55.76 126.37 25.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.936 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.497 HG22 ' CB ' ' A' ' 65' ' ' THR . 9.7 p -154.43 172.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.07 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.53 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -139.22 168.5 19.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.375 -179.964 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.54 129.4 53.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.416 1.072 . . . . 0.0 109.266 -179.943 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -66.43 154.31 40.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -40.33 -29.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.252 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.439 ' N ' ' C ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -87.33 32.8 0.69 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.942 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 39.4 43.14 2.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 111.059 -179.917 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.465 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -115.76 105.76 13.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.538 0.787 . . . . 0.0 109.97 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.14 81.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.951 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.3 p -91.46 87.7 6.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.587 1.179 . . . . 0.0 110.06 179.914 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.497 ' CB ' HG22 ' A' ' 55' ' ' VAL . 1.9 t -108.15 125.38 51.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.4 p -88.7 134.13 34.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.4 1.063 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.86 168.41 26.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.573 1.17 . . . . 0.0 109.309 -179.938 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.8 m -106.6 140.88 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.451 ' CG2' HG22 ' A' ' 17' ' ' THR . 39.2 t -88.74 80.05 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -88.25 63.33 7.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 28.4 ttp180 -43.63 -29.43 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 110.305 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -96.42 128.22 43.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 110.064 179.97 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.549 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 162.21 172.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.568 1.167 . . . . 0.0 110.973 -179.964 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.505 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 15.1 tt0 -85.62 115.58 23.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.388 1.055 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.632 ' C ' ' HB3' ' A' ' 83' ' ' TRP . . . -90.16 177.7 42.94 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.631 1.207 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.482 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 6.0 m-85 -146.92 149.49 33.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.59 0.817 . . . . 0.0 111.099 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.51 ' CD2' ' HB2' ' A' ' 83' ' ' TRP . 12.6 mt -90.41 157.31 17.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -90.75 -23.92 20.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.072 -179.968 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -63.53 -49.72 72.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.9 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.81 -28.0 0.22 Allowed Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.441 1.088 . . . . 0.0 111.046 -179.952 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.476 ' HB ' ' CD1' ' A' ' 77' ' ' LEU . 57.5 m -75.52 172.3 12.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.61 0.829 . . . . 0.0 110.475 179.95 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.12 157.51 17.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.653 ' CZ2' ' CG2' ' A' ' 40' ' ' VAL . 2.8 t90 -103.85 -89.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 108.084 179.909 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.686 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 96.57 -112.33 4.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.046 179.97 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.686 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 3.8 m 77.53 -60.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.469 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.495 ' CG2' ' C ' ' A' ' 85' ' ' THR . 2.8 t 85.02 -13.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 85' ' ' THR . 44.9 t0 -142.69 97.4 3.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.413 1.071 . . . . 0.0 109.423 179.901 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 24.2 t -87.77 54.2 3.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 108.266 -179.935 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.405 HG21 ' HD2' ' A' ' 87' ' ' ASP . 10.6 t -98.09 -10.84 23.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 1.185 . . . . 0.0 110.469 179.926 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 m -88.77 -54.35 4.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 110.396 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 40' ' ' VAL . . . -91.15 138.82 31.3 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -70.78 114.06 8.48 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.346 1.029 . . . . 0.0 109.225 -179.852 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.402 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -89.47 127.61 35.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.409 1.068 . . . . 0.0 108.25 -179.958 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.467 ' O ' ' CG ' ' A' ' 94' ' ' GLN . 0.7 OUTLIER -105.82 122.19 45.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.948 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 21.4 t -90.12 119.9 38.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.416 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . -171.77 -179.74 42.95 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.544 ' CD2' ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -104.7 140.48 37.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 0.763 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.0 p -106.78 156.11 19.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.972 -179.958 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.59 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -68.86 161.93 27.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.408 179.973 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.73 -0.53 57.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.91 -37.03 22.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.72 43.84 0.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -148.88 145.31 27.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.404 0.708 . . . . 0.0 109.211 -179.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.42 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -138.98 63.38 0.55 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.514 1.134 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.3 Cg_endo -75.16 -24.42 12.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.658 1.873 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.13 141.23 28.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.226 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 152.74 148.39 4.86 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.42 1.075 . . . . 0.0 110.965 179.916 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.453 ' CG2' HG22 ' A' ' 6' ' ' THR . 0.9 OUTLIER -105.22 143.62 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.352 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.3 98.12 5.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 109.225 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.517 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -92.73 142.38 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.37 1.044 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.5 OUTLIER 157.77 -65.5 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.941 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -147.11 132.44 18.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 179.958 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.5 t30 . . . . . 0 C--N 1.323 -0.554 0 O-C-N 124.594 1.184 . . . . 0.0 109.238 -179.868 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.928 ' H8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.679 ' N ' ' CD ' ' A' ' 3' ' ' PRO . . . -81.44 -41.11 1.07 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 2' ' ' ALA . 18.2 Cg_endo -75.01 124.54 8.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.449 ' CG2' ' C ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 51.13 176.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.521 1.138 . . . . 0.0 110.488 179.977 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.529 ' HA ' ' CA ' ' A' ' 23' ' ' GLY . . . -86.17 134.54 33.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.163 . . . . 0.0 109.349 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.466 ' N ' HG12 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -134.31 146.68 50.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.386 -179.969 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.509 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.8 t -71.25 122.27 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.733 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -34.4 -68.86 0.17 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.426 179.996 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.733 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.81 -152.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 111.052 179.86 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.45 ' CB ' ' N ' ' A' ' 113' ' ' ASN . 93.9 p -98.58 -26.96 14.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.504 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 0.4 OUTLIER 54.39 163.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.084 -179.909 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.28 -39.61 3.05 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.592 ' HB3' ' CD2' ' A' ' 112' ' ' PHE . 1.3 pp -62.88 -20.63 65.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 0.727 . . . . 0.0 109.258 179.946 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -146.82 110.98 5.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.936 -179.928 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.404 ' OD2' ' O ' ' A' ' 15' ' ' ASP . 2.4 p30 -69.45 53.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.329 1.018 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 14' ' ' SER . . . -175.11 24.31 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.372 1.045 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.473 ' HB ' ' CG1' ' A' ' 69' ' ' VAL . 3.0 m -91.74 105.85 18.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 0.798 . . . . 0.0 110.434 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 2.4 p -97.43 118.62 44.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.396 179.944 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.5 ' CG2' HG12 ' A' ' 7' ' ' VAL . 14.4 m -144.73 -162.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.229 179.991 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.25 142.07 51.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 0.0 109.246 -179.949 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 6' ' ' THR . 8.3 t -112.13 86.82 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.934 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -87.76 138.99 30.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.6 1.188 . . . . 0.0 109.278 -179.936 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.529 ' CA ' ' HA ' ' A' ' 5' ' ' ALA . . . -147.47 143.37 11.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.155 . . . . 0.0 111.041 -179.953 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -123.89 103.2 8.2 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.676 0.868 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.79 0.99 7.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.597 1.185 . . . . 0.0 111.054 -179.916 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 28' ' ' ALA . 9.0 tp -77.67 -141.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 0.783 . . . . 0.0 109.279 -179.911 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.635 ' CG ' ' CD2' ' A' ' 32' ' ' TYR . 1.1 mp0 -48.2 90.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.193 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.52 83.99 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 70.22 19.38 75.76 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.415 1.072 . . . . 0.0 111.083 -179.858 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.506 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.76 -178.09 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 0.723 . . . . 0.0 110.474 -179.981 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.593 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -145.85 100.75 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.185 -179.94 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.635 ' CD2' ' CG ' ' A' ' 27' ' ' GLN . 17.8 m-30 -116.47 171.24 7.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.3 OUTLIER -90.65 119.51 30.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.183 -179.879 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.494 ' CG2' HG22 ' A' ' 65' ' ' THR . 0.5 OUTLIER -80.48 143.59 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.934 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.591 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 170.33 157.5 12.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.395 1.06 . . . . 0.0 110.941 179.931 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.567 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.46 91.31 7.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 0.788 . . . . 0.0 110.285 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.618 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 5.5 t -106.2 161.12 14.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 108.26 -179.997 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 37' ' ' CYS . . . 164.38 171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 179.988 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.563 ' CD1' ' HG ' ' A' ' 45' ' ' LEU . 5.8 m-90 -66.39 102.8 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.542 ' CG2' ' N ' ' A' ' 41' ' ' ASP . 2.2 m -88.83 -53.46 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.347 1.029 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.542 ' N ' ' CG2' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -88.61 -165.69 1.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 179.946 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.2 m -68.12 91.51 0.36 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.511 179.916 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.19 15.79 61.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.491 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 19.0 t -97.45 107.92 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.536 0.786 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.563 ' HG ' ' CD1' ' A' ' 39' ' ' TRP . 0.3 OUTLIER -74.6 101.83 4.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.583 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . . . -119.2 167.26 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.863 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.597 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 1.4 m -130.74 144.54 51.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.308 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.633 ' OD1' ' CZ ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -66.3 169.63 6.93 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.911 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.548 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.01 -11.65 21.46 Favored 'Trans proline' 0 C--N 1.362 1.248 0 O-C-N 124.401 1.737 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.55 16.32 24.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.429 1.081 . . . . 0.0 109.24 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.81 ' HD2' ' H8 ' ' A' ' 130' ' ' NCZ . 0.1 OUTLIER -89.06 8.19 31.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.634 1.209 . . . . 0.0 109.26 -179.946 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -108.81 90.52 3.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 111.03 -179.968 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.469 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -151.01 85.14 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.94 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 3.7 t -39.52 152.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.706 1.254 . . . . 0.0 110.025 -179.951 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.5 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 3.4 p -168.59 146.4 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.52 1.138 . . . . 0.0 109.256 -179.917 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.593 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -130.45 150.55 51.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.552 179.842 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -108.72 155.58 20.57 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.402 1.064 . . . . 0.0 109.303 -179.901 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.517 ' N ' ' OD2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -77.47 156.54 31.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.597 1.185 . . . . 0.0 109.286 179.915 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.75 -26.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.601 1.188 . . . . 0.0 109.322 179.914 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.455 ' N ' ' C ' ' A' ' 58' ' ' ASP . 26.7 t-20 -87.21 33.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 44.39 35.69 4.0 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.43 1.081 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.492 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -90.05 94.73 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 110.066 179.952 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.478 ' CB ' HD21 ' A' ' 26' ' ' LEU . . . -97.12 100.58 12.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 75.3 p -107.83 81.23 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 109.965 -179.933 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.5 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 9.7 t -104.73 118.66 37.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.61 141.17 44.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 tp -168.97 -175.25 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 12.4 t -107.49 136.39 47.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.578 ' CG1' ' O ' ' A' ' 69' ' ' VAL . 3.6 p -89.49 95.43 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.654 1.221 . . . . 0.0 109.26 -179.89 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.683 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 1.2 mtt-85 -95.5 67.1 2.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.1 . . . . 0.0 110.416 179.933 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.574 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 3.2 ttm180 -30.38 -38.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.421 1.076 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -96.35 134.12 39.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.086 179.958 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.709 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER 161.69 130.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 -179.973 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 83' ' ' TRP . 55.5 tt0 -87.28 105.6 17.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.576 1.173 . . . . 0.0 110.342 179.938 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.616 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -96.88 -145.79 19.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 8.2 m-85 -131.83 148.43 52.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.583 ' HA ' ' CB ' ' A' ' 46' ' ' ALA . 1.3 mt -92.34 174.86 7.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.237 179.988 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -64.79 -29.23 70.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.54 -43.26 90.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.228 -179.939 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.77 -5.08 4.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.627 1.204 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.496 ' CG2' HD11 ' A' ' 77' ' ' LEU . 1.3 m -65.69 163.41 16.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.459 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -103.59 73.55 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.196 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.616 ' O ' ' N ' ' A' ' 75' ' ' GLY . 5.6 t-105 -112.27 -81.78 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 107.968 179.94 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.728 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 55.7 87.08 0.02 OUTLIER Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.574 1.171 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.545 ' C ' ' CG2' ' A' ' 86' ' ' VAL . 1.0 OUTLIER 48.43 -76.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.401 0.707 . . . . 0.0 110.477 179.986 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.728 ' N ' ' O ' ' A' ' 84' ' ' GLY . 2.6 t 87.48 -40.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 89' ' ' THR . 4.9 t0 -156.56 81.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.378 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.464 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -68.3 60.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.438 1.087 . . . . 0.0 108.355 179.958 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 87' ' ' ASP . 13.9 t -88.01 -8.6 55.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.506 1.129 . . . . 0.0 110.508 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.2 m -150.24 -43.75 0.13 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.34 143.5 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.408 1.068 . . . . 0.0 109.329 179.934 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.14 111.65 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.385 1.053 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.12 128.18 37.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.362 1.039 . . . . 0.0 108.303 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 26.5 mt-30 -95.43 111.45 23.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.567 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 1.5 t -88.6 103.08 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.394 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.479 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -157.48 176.52 34.61 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.379 1.049 . . . . 0.0 111.002 -179.928 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -108.68 123.36 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.627 0.839 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -103.67 148.58 25.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.998 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.58 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -41.66 161.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 179.919 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.11 -11.36 58.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.73 -19.13 28.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.473 ' O ' ' C16' ' A' ' 130' ' ' NCZ . . . 87.65 45.97 5.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.616 1.198 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 0.8 OUTLIER -138.17 144.07 40.55 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 0.738 . . . . 0.0 109.317 -179.936 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.19 112.4 3.1 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.579 1.174 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 59.03 5.13 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.434 1.755 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.77 145.69 25.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.068 . . . . 0.0 110.228 -179.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.479 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . 131.64 156.38 8.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.434 1.084 . . . . 0.0 111.056 -179.996 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.591 ' CG1' ' CD1' ' A' ' 110' ' ' ILE . 1.0 OUTLIER -102.31 143.26 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.375 0.691 . . . . 0.0 109.338 -179.974 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.39 95.96 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.591 ' CD1' ' CG1' ' A' ' 108' ' ' VAL . 1.1 mp -78.88 159.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 109.246 -179.993 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.483 ' O ' ' O ' ' A' ' 11' ' ' SER . 0.4 OUTLIER 163.77 -78.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 110.011 -179.872 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -163.63 141.12 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 111.043 179.901 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.45 ' N ' ' CB ' ' A' ' 10' ' ' SER . 17.2 p30 . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 109.398 -179.937 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 130' ' ' NCZ . . . . . 0.81 ' H8 ' ' HD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.551 ' C ' HG23 ' A' ' 4' ' ' THR . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 111.047 -0.405 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.551 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.3 p 60.75 -148.05 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.462 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.712 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -75.2 118.52 18.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.616 ' HA ' HG11 ' A' ' 108' ' ' VAL . 1.1 p -145.22 145.57 31.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.479 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.96 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.1 t -75.12 142.62 14.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.53 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -49.02 -58.18 9.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.37 1.044 . . . . 0.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.977 ' HG3' HG11 ' A' ' 19' ' ' VAL . 17.8 Cg_endo -75.0 -160.85 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.529 ' HA ' HD11 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -136.76 -46.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.386 1.054 . . . . 0.0 109.937 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 111' ' ' SER . 23.7 p -70.19 59.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.606 1.191 . . . . 0.0 110.049 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.513 ' HA3' HG23 ' A' ' 110' ' ' ILE . . . -50.48 -19.02 2.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.005 HD23 ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER -69.93 60.32 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.497 0.763 . . . . 0.0 109.24 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -130.03 126.57 38.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.087 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 14' ' ' SER . 1.4 m-20 -36.01 94.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 41.84 67.62 0.81 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.767 HG22 HG12 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -76.24 127.62 33.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.402 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.84 HG13 ' OG1' ' A' ' 68' ' ' THR . 1.3 t -98.25 123.19 50.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.977 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -150.9 -172.49 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -111.59 137.72 49.07 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.609 HG22 ' HA ' ' A' ' 7' ' ' VAL . 76.0 t -113.66 108.71 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.412 1.07 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.05 131.49 35.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -114.59 92.95 0.62 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.521 1.138 . . . . 0.0 111.083 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.81 124.65 35.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.71 21.24 79.57 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.812 HD11 HD21 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -85.25 -142.64 0.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.357 0.681 . . . . 0.0 109.238 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.996 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.1 mm100 -54.69 89.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.24 84.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 79.69 0.9 85.97 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.522 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -89.17 -175.06 4.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 0.783 . . . . 0.0 110.34 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.818 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -146.51 149.26 33.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.685 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.4 m-30 -150.44 -167.33 2.79 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 72.8 m-20 -109.61 109.57 20.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.334 1.021 . . . . 0.0 109.382 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 65' ' ' THR . 1.2 t -78.37 140.74 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.601 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 173.01 160.68 22.04 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -93.95 101.08 13.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 0.0 110.376 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 4.8 t -106.97 150.3 26.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 108.353 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.512 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 177.37 168.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.362 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 45' ' ' LEU . 1.3 m95 -68.26 111.01 4.31 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.849 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -94.71 -46.1 13.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.605 ' OD2' ' CZ3' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -87.15 -162.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 m -64.86 76.27 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.344 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 72.36 14.25 77.06 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.454 1.096 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.717 HG11 ' HG ' ' A' ' 77' ' ' LEU . 27.0 t -90.05 116.34 31.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.569 0.806 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 3.6 tp -64.12 105.47 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.23 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.849 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -123.03 136.47 54.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.363 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 26.6 m -97.88 156.58 16.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.599 1.187 . . . . 0.0 108.229 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.448 ' O ' ' HB3' ' A' ' 51' ' ' ASP . 4.7 m-20 -79.84 162.64 61.75 Favored Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 124.419 1.074 . . . . 0.0 109.359 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.595 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 17.9 Cg_endo -75.11 -12.97 21.31 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.403 1.738 . . . . 0.0 110.951 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.26 14.24 25.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.601 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.47 10.86 16.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.595 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -106.61 91.85 3.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 111.003 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.529 ' HB3' HG12 ' A' ' 34' ' ' VAL . 28.8 t -150.52 91.47 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 110.08 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 53' ' ' SER . 25.4 p -33.17 148.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.055 . . . . 0.0 110.072 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.605 HG21 HG21 ' A' ' 65' ' ' THR . 0.3 OUTLIER -147.48 155.36 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.818 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -151.57 129.32 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 110.403 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.999 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -101.66 139.84 36.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.578 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -62.3 159.5 15.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.402 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.22 -29.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.437 ' N ' ' C ' ' A' ' 58' ' ' ASP . 13.0 t-20 -88.75 34.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.19 45.46 5.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.8 OUTLIER -109.15 97.74 7.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.593 0.819 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.999 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.14 84.11 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.7 m -93.25 80.58 4.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.898 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.802 HG21 HG21 ' A' ' 34' ' ' VAL . 15.1 t -107.05 138.65 42.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.585 1.178 . . . . 0.0 110.459 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.87 137.43 46.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.423 1.077 . . . . 0.0 110.135 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.81 177.81 11.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.84 ' OG1' HG13 ' A' ' 18' ' ' VAL . 95.4 m -106.68 135.73 47.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.156 . . . . 0.0 110.361 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.767 HG12 HG22 ' A' ' 17' ' ' THR . 12.3 p -87.57 87.72 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -87.76 78.19 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.474 ' HD3' ' CA ' ' A' ' 89' ' ' THR . 6.2 ttm180 -52.42 -33.24 42.99 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 2.5 p -93.41 134.08 36.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.59 1.181 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.515 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 162.26 177.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.467 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 27.0 tt0 -89.26 111.61 22.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.9 160.74 35.66 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.554 1.159 . . . . 0.0 111.044 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.498 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -138.23 128.27 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.0 111.02 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.731 HD12 ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -62.95 145.79 54.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.636 1.21 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 45' ' ' LEU . 3.4 p90 -76.04 -18.12 59.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.27 -48.17 82.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.386 1.054 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.6 -24.94 0.31 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.059 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 89.0 m -88.67 158.57 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 110.329 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 1.4 ptp180 -108.04 145.69 33.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.16 . . . . 0.0 110.426 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.624 ' CD1' HG13 ' A' ' 40' ' ' VAL . 73.7 t-105 -105.56 -91.22 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 108.033 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.474 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 138.99 -68.82 0.49 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.623 1.202 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.741 ' C ' HG23 ' A' ' 86' ' ' VAL . 1.2 m 67.04 -61.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.359 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.741 HG23 ' C ' ' A' ' 85' ' ' THR . 2.9 t 86.83 -35.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.495 ' N ' HG22 ' A' ' 85' ' ' THR . 0.7 OUTLIER -138.88 107.17 5.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.245 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 15.1 t -89.74 57.88 4.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 108.278 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.474 ' CA ' ' HD3' ' A' ' 71' ' ' ARG . 8.8 t -100.81 -13.34 18.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.7 m -88.48 -57.55 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -89.9 124.59 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.31 120.02 7.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.595 1.185 . . . . 0.0 109.292 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.99 126.52 35.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 108.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.475 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 25.3 mt-30 -97.32 116.33 29.33 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.467 HG22 ' HG2' ' A' ' 36' ' ' GLN . 3.4 t -87.82 110.22 20.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 109.234 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.52 -177.45 37.17 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.566 1.166 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.812 HD21 HD11 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -106.57 155.68 19.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.582 0.813 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -104.33 148.32 26.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.634 1.209 . . . . 0.0 109.885 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.616 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -94.54 159.23 15.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 1.178 . . . . 0.0 109.214 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.65 14.82 10.73 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.546 1.154 . . . . 0.0 109.238 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.34 -30.46 12.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.18 40.93 1.59 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.407 1.067 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.8 160.3 39.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 109.262 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -129.52 66.72 0.57 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -37.69 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.494 1.786 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.23 147.79 23.96 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 143.44 110.25 0.74 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.356 1.035 . . . . 0.0 111.047 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.616 HG11 ' HA ' ' A' ' 6' ' ' THR . 4.1 p -100.56 118.74 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.598 0.822 . . . . 0.0 109.292 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.03 87.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.422 1.077 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.529 HD11 ' HA ' ' A' ' 10' ' ' SER . 3.0 tp -86.29 153.44 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . 1.005 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.601 1.188 . . . . 0.0 109.925 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.641 ' C ' HG23 ' A' ' 4' ' ' THR . 18.6 Cg_endo . . . . . 0 N--CA 1.455 -0.775 0 N-CA-C 110.941 -0.446 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.641 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.2 p 63.34 -146.63 0.34 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.622 ' H ' HD23 ' A' ' 26' ' ' LEU . . . -77.54 109.92 11.9 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.474 1.109 . . . . 0.0 109.43 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -146.07 148.67 32.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.887 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -81.39 139.96 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.487 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -38.83 -56.17 2.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.381 1.051 . . . . 0.0 110.39 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.887 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.95 -159.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.448 1.762 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.14 -58.31 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.22 168.84 17.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.936 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.66 31.4 58.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.569 1.168 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.704 HD22 HG21 ' A' ' 17' ' ' THR . 76.9 mt -88.83 165.66 14.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 0.774 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.8 t -127.78 153.04 47.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.09 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.28 83.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.342 1.027 . . . . 0.0 109.35 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 126.7 33.71 0.64 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.406 1.066 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.704 HG21 HD22 ' A' ' 13' ' ' LEU . 97.6 m -86.61 103.22 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.62 0.835 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.52 123.78 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.228 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.804 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -149.28 -177.76 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -103.49 134.75 46.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.364 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.6 t -114.66 103.02 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -87.93 134.26 33.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.13 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -120.14 66.38 0.42 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.442 1.088 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.85 118.22 17.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 72.84 41.76 48.2 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.622 HD23 ' H ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -104.93 -95.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.587 ' OE1' ' CD1' ' A' ' 32' ' ' TYR . 6.3 mm-40 -61.26 -13.48 19.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.401 1.063 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 68.61 8.48 6.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 118.58 -0.05 15.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.093 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.649 HG22 ' H ' ' A' ' 31' ' ' ALA . 3.0 m -80.43 -157.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.482 0.754 . . . . 0.0 110.46 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.649 ' H ' HG22 ' A' ' 30' ' ' THR . . . -140.89 114.84 9.08 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.565 1.165 . . . . 0.0 109.29 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.609 ' CE1' ' HA ' ' A' ' 99' ' ' ASP . 1.1 m-30 -123.24 -175.12 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.452 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.6 m-20 -102.74 127.45 49.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 0.0 109.301 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.748 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -90.53 131.72 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.631 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . -179.37 149.99 9.09 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.642 1.214 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.634 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -93.64 109.56 21.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.623 0.837 . . . . 0.0 110.38 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -108.08 151.73 25.48 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.501 1.126 . . . . 0.0 108.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.58 ' HB1' ' O ' ' A' ' 92' ' ' ALA . . . -171.0 162.92 7.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.544 ' CD1' ' O ' ' A' ' 39' ' ' TRP . 18.4 p90 -74.36 110.43 8.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.667 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -98.09 -48.18 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.607 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 2.3 t0 -73.47 -154.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 42' ' ' THR . 14.7 t -78.51 54.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.068 . . . . 0.0 110.447 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.28 2.39 54.09 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.6 1.188 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 14.6 t -82.39 118.87 30.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.446 0.733 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 mt -68.64 100.16 1.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.477 ' HB2' HD23 ' A' ' 77' ' ' LEU . . . -109.52 144.86 37.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.9 m -108.93 153.17 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.607 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -86.99 178.95 1.96 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.667 1.229 . . . . 0.0 109.369 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -75.0 -16.31 20.27 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.562 1.822 . . . . 0.0 111.097 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.44 12.51 31.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.603 1.189 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.631 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.9 t70 -88.42 -0.87 57.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.607 1.192 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 5.1 m-85 -107.85 91.03 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.525 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -147.91 81.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.962 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' SER . 52.4 p -37.13 129.78 0.89 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.539 1.149 . . . . 0.0 110.046 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.846 ' CG2' HG21 ' A' ' 65' ' ' THR . 3.2 t -143.25 151.91 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.6 1.188 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.583 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -132.35 146.38 51.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.407 1.067 . . . . 0.0 110.478 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.481 ' CB ' ' HB2' ' A' ' 27' ' ' GLN . . . -99.12 137.6 37.41 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.654 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -58.69 159.35 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.359 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.79 -32.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.386 1.054 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 58' ' ' ASP . 38.6 t30 -88.56 35.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.37 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 39.64 43.45 2.26 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.621 1.201 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 19.3 m -116.29 103.86 10.91 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.583 0.814 . . . . 0.0 109.949 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -103.09 95.61 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.368 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.5 p -98.78 82.27 2.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.846 HG21 ' CG2' ' A' ' 55' ' ' VAL . 31.3 m -109.26 136.14 49.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.41 ' O ' HD22 ' A' ' 67' ' ' LEU . 89.3 p -90.42 125.48 35.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.494 HD23 HG11 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -137.5 163.64 30.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 17' ' ' THR . 5.3 t -106.08 137.31 44.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.348 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.514 HG21 HD13 ' A' ' 13' ' ' LEU . 21.2 t -89.35 87.08 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.691 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -95.19 70.86 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -36.73 -32.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -88.63 136.77 32.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.395 1.059 . . . . 0.0 110.022 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.691 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER 168.09 -178.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.462 1.101 . . . . 0.0 110.923 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -97.61 110.04 22.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.33 1.019 . . . . 0.0 110.353 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.66 145.85 34.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.619 ' CE1' ' O ' ' A' ' 77' ' ' LEU . 2.1 t80 -133.48 123.83 25.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 0.802 . . . . 0.0 111.002 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.787 HD21 ' HB2' ' A' ' 83' ' ' TRP . 7.5 mt -66.6 154.65 39.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -83.57 -27.62 29.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -56.89 -44.81 82.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.36 -21.63 0.74 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.602 1.189 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.707 ' HB ' HD12 ' A' ' 77' ' ' LEU . 45.2 m -82.55 158.55 23.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 0.798 . . . . 0.0 110.441 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -111.01 142.14 43.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.787 ' HB2' HD21 ' A' ' 77' ' ' LEU . 44.4 t-105 -101.44 -84.57 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 108.021 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.475 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 124.32 -74.48 0.4 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.587 1.179 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.73 ' C ' HG23 ' A' ' 86' ' ' VAL . 1.1 m 67.35 -62.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 0.716 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.73 HG23 ' C ' ' A' ' 85' ' ' THR . 3.3 t 88.55 -32.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.379 1.049 . . . . 0.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.572 ' H ' HG22 ' A' ' 85' ' ' THR . 29.2 t0 -138.42 115.89 11.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 13.0 t -88.99 55.87 3.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 108.342 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.7 t -96.06 -16.06 21.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 110.414 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.2 m -89.0 -56.81 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.456 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.65 156.75 17.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.19 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.58 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -88.81 122.41 32.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.679 1.237 . . . . 0.0 109.222 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.49 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -86.91 120.78 28.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.567 1.167 . . . . 0.0 108.339 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.501 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 20.3 mt-30 -99.41 116.12 30.83 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.634 HG22 ' HB3' ' A' ' 36' ' ' GLN . 41.8 t -88.88 123.75 41.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.096 . . . . 0.0 109.237 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -172.43 173.46 45.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.748 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -106.05 126.68 52.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.779 . . . . 0.0 109.36 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.03 170.66 7.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.093 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.609 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -64.43 161.23 17.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.21 -22.37 6.6 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.614 1.196 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.27 -27.21 26.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 99' ' ' ASP . . . 100.17 16.57 27.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -95.57 157.65 15.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.55 114.59 3.59 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.448 1.093 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 52.85 3.13 Favored 'Trans proline' 0 C--N 1.358 1.032 0 O-C-N 124.501 1.79 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -90.53 102.11 14.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.09 144.13 4.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.39 1.056 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 4.1 p -106.09 129.9 58.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.531 0.783 . . . . 0.0 109.192 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.541 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -62.84 91.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.779 HG21 HG21 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -106.47 138.13 33.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.554 1.158 . . . . 0.0 109.387 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 3.9 p . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.076 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.663 ' C ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.455 -0.777 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.663 HG23 ' C ' ' A' ' 3' ' ' PRO . 0.8 OUTLIER 62.48 -153.9 0.35 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.57 1.169 . . . . 0.0 110.432 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.657 ' HB2' ' CD2' ' A' ' 97' ' ' LEU . . . -73.13 125.67 28.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.391 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -139.19 148.7 43.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.371 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.918 HG21 HG21 ' A' ' 110' ' ' ILE . 84.7 t -86.04 126.06 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.724 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -30.4 -68.5 0.12 Allowed Pre-proline 0 C--N 1.323 -0.568 0 O-C-N 124.615 1.197 . . . . 0.0 110.432 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.892 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.98 -158.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 111.081 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.533 ' HA ' HD11 ' A' ' 110' ' ' ILE . 15.0 p -148.73 -75.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.8 t -108.59 149.12 29.33 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.477 1.111 . . . . 0.0 109.954 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.432 ' C ' HD23 ' A' ' 13' ' ' LEU . . . 97.59 28.08 8.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.572 1.17 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.713 ' N ' HD23 ' A' ' 13' ' ' LEU . 1.2 mt -86.08 164.55 17.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 109.213 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.586 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.7 OUTLIER -127.16 159.91 32.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.888 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.87 64.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.07 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 138.92 39.25 0.1 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.485 1.116 . . . . 0.0 111.115 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.776 ' O ' HG12 ' A' ' 69' ' ' VAL . 1.1 m -92.01 116.47 28.95 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.549 0.793 . . . . 0.0 110.27 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.426 HG23 ' H ' ' A' ' 18' ' ' VAL . 1.6 t -74.23 128.91 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.226 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.917 HG21 HG13 ' A' ' 7' ' ' VAL . 15.3 m -145.16 165.46 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -98.23 124.64 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.381 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.4 HG12 ' HB1' ' A' ' 5' ' ' ALA . 3.3 t -99.19 94.63 3.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.576 1.172 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.26 120.17 30.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.405 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.434 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -111.27 96.22 0.87 Allowed Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.428 1.08 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.01 103.34 15.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.394 0.702 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.24 14.59 25.74 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.531 1.144 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.711 ' HG ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -84.18 -143.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.726 . . . . 0.0 109.293 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.864 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 35.0 mm-40 -49.49 90.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -57.97 83.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 75.71 6.13 80.72 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.48 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.11 -176.52 4.63 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.533 0.784 . . . . 0.0 110.35 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.695 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -137.23 112.79 9.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 2.7 m-30 -117.46 170.97 8.31 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.453 1.096 . . . . 0.0 111.079 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -88.79 123.17 32.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 1.074 . . . . 0.0 109.28 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.698 HG23 HG11 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -85.35 139.33 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.582 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 163.75 144.14 3.94 Favored Glycine 0 CA--C 1.528 0.856 0 O-C-N 124.421 1.076 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.715 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 4.8 pm0 -92.45 119.12 31.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.363 0.684 . . . . 0.0 110.328 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 t -109.78 154.21 23.27 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.353 1.033 . . . . 0.0 108.394 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -167.44 153.32 7.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.358 1.037 . . . . 0.0 109.218 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.415 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 29.7 p-90 -69.76 106.72 3.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 107.96 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.893 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -90.1 -46.01 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.407 1.067 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.609 ' OD1' ' CH2' ' A' ' 83' ' ' TRP . 1.2 t0 -86.51 -166.37 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -61.97 79.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.423 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 67.65 24.51 74.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 26.0 t -100.47 106.25 18.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.361 0.683 . . . . 0.0 109.245 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 4.3 mt -57.43 95.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.893 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -102.42 132.24 48.57 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.608 1.193 . . . . 0.0 109.37 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.6 m -96.75 155.39 16.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 108.322 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.67 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -88.87 168.41 15.74 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.589 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.96 -8.66 20.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.582 1.833 . . . . 0.0 111.022 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.52 10.68 33.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.582 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -89.75 5.01 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.231 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 4.2 m-85 -107.05 88.97 2.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.082 . . . . 0.0 111.038 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.689 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -150.68 85.73 1.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.919 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 53' ' ' SER . 40.0 t -35.96 149.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.698 HG11 HG23 ' A' ' 34' ' ' VAL . 10.6 p -158.02 155.62 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.224 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.695 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -138.97 141.92 38.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 0.0 110.393 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 1.021 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -107.39 144.29 34.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -59.8 160.07 8.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.77 -32.22 0.21 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -88.34 35.87 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.368 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.78 42.61 4.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.425 1.078 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -102.34 95.8 6.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.758 . . . . 0.0 110.057 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 1.021 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.4 80.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 p -93.97 77.82 4.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.888 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.468 ' OG1' HG23 ' A' ' 55' ' ' VAL . 2.5 m -109.56 139.18 44.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.444 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.431 ' O ' HD12 ' A' ' 67' ' ' LEU . 52.5 p -97.73 135.01 40.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 110.075 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -145.64 171.21 15.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.364 1.04 . . . . 0.0 109.342 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.467 ' CG2' ' HA2' ' A' ' 16' ' ' GLY . 2.0 m -105.92 130.47 53.86 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.564 1.165 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.776 HG12 ' O ' ' A' ' 17' ' ' THR . 7.3 p -86.0 92.07 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.694 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 3.4 mtt180 -87.69 72.24 9.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.067 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 20.7 ttp180 -38.54 -36.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.193 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.554 ' C ' ' CG ' ' A' ' 73' ' ' PHE . 4.0 m -98.75 148.93 23.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 110.032 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.694 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 161.18 -172.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.953 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 1.2 tt0 -100.79 97.34 7.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.241 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.467 ' HA3' ' HG1' ' A' ' 85' ' ' THR . . . -66.14 162.17 43.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.585 ' CZ ' ' HG3' ' A' ' 82' ' ' ARG . 47.0 m-85 -142.57 124.02 14.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 0.796 . . . . 0.0 110.988 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 83' ' ' TRP . 18.1 mt -53.96 159.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.237 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 78' ' ' PHE . 2.1 p90 -73.24 -32.2 64.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.06 -51.55 65.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.87 -24.21 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.406 1.066 . . . . 0.0 110.965 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.0 m -74.56 149.11 40.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.585 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 5.4 ttm180 -90.53 142.61 27.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.697 ' CD1' HG13 ' A' ' 40' ' ' VAL . 76.3 t-105 -102.4 -89.22 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.119 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 74' ' ' GLU . . . 164.09 -67.59 0.22 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.844 HG23 ' CG2' ' A' ' 40' ' ' VAL . 2.0 m 78.7 -62.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.602 HG23 ' C ' ' A' ' 85' ' ' THR . 2.4 t 75.43 -77.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -128.88 110.17 11.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.18 . . . . 0.0 109.39 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 49.7 t -75.01 57.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 0.0 108.247 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.8 t -100.02 -25.4 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.384 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.0 m -88.81 -51.72 5.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.499 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -89.36 147.02 24.3 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.401 1.063 . . . . 0.0 109.227 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.825 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -86.01 122.79 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.354 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.603 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -91.09 119.34 31.15 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.498 1.123 . . . . 0.0 108.33 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.608 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 23.3 mt-30 -91.84 115.22 27.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.571 ' CG2' HG22 ' A' ' 110' ' ' ILE . 2.3 t -88.28 123.01 40.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -170.4 170.14 42.79 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.64 1.213 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.711 HD21 ' HG ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -106.33 118.22 36.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.1 p -90.44 159.88 16.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.905 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.577 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -57.32 163.71 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.15 -16.82 62.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.36 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.26 -23.04 54.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.1 39.1 3.61 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.625 1.203 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.539 ' ND2' ' OD1' ' A' ' 99' ' ' ASP . 11.0 p-10 -146.23 157.98 43.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.407 0.71 . . . . 0.0 109.394 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.51 122.26 0.94 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -5.54 16.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.612 1.849 . . . . 0.0 111.057 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 130.68 43.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.02 130.64 1.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.084 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 p -106.61 125.86 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 O-C-N 124.472 0.748 . . . . 0.0 109.382 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.825 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -65.92 91.16 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.918 HG21 HG21 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -109.8 141.98 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.39 1.056 . . . . 0.0 109.334 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.2 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.941 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.92 -0.454 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 19.3 p 49.35 -125.96 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.818 ' HB2' HD21 ' A' ' 26' ' ' LEU . . . -81.93 119.35 23.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.608 1.193 . . . . 0.0 109.273 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -148.01 147.66 29.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.353 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.791 HG22 ' HD2' ' A' ' 9' ' ' PRO . 4.7 p -97.5 147.63 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.495 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -37.13 -56.19 1.56 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.176 . . . . 0.0 110.436 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.791 ' HD2' HG22 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.15 -177.92 3.83 Favored 'Trans proline' 0 C--N 1.362 1.259 0 O-C-N 124.406 1.74 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.46 ' HA ' HG12 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -150.23 -44.86 0.13 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.531 1.144 . . . . 0.0 109.914 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.7 m -134.04 -174.51 3.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 0.0 110.068 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 37.84 44.99 1.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.561 1.163 . . . . 0.0 110.988 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.92 HD12 ' N ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -73.78 167.39 21.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.625 0.838 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.92 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -116.59 144.4 44.43 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.16 . . . . 0.0 110.012 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -59.49 74.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 120.98 39.73 0.58 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.606 1.191 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.635 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.3 m -82.48 108.07 15.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.424 0.72 . . . . 0.0 110.393 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.5 t -78.85 127.15 39.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.692 HG11 ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -153.25 179.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -107.72 135.5 49.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.587 HG22 HG23 ' A' ' 7' ' ' VAL . 61.8 t -106.64 105.28 18.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.344 1.028 . . . . 0.0 109.313 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.79 132.96 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.352 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -109.29 86.58 0.45 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.592 1.183 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.5 100.05 11.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.3 32.12 8.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.592 1.182 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.818 HD21 ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -81.05 -149.11 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 0.716 . . . . 0.0 109.344 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.893 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -84.98 82.39 8.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.359 1.037 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.583 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . -59.2 118.08 5.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.623 1.202 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.99 -30.51 7.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 111.068 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.501 HG21 ' NE2' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.07 -178.63 5.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.61 0.83 . . . . 0.0 110.411 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.915 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -160.45 140.97 11.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.861 ' O ' HG12 ' A' ' 55' ' ' VAL . 20.7 m-85 -137.46 -179.84 5.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 111.058 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.455 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.7 m-20 -90.69 122.26 33.3 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.802 HG23 ' HB3' ' A' ' 97' ' ' LEU . 1.2 t -89.41 141.51 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.55 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 171.78 157.88 14.64 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.395 1.059 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.551 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -91.5 107.62 19.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 110.318 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 1.3 t -107.18 150.16 26.92 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.506 1.129 . . . . 0.0 108.355 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.649 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -174.9 161.2 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.515 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 64.0 p-90 -66.27 109.54 2.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.519 1.137 . . . . 0.0 107.964 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.951 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -103.66 -47.66 10.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.617 ' CG ' HD21 ' A' ' 77' ' ' LEU . 4.5 t70 -91.99 170.44 9.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.079 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 44' ' ' VAL . 12.6 m -31.89 95.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.349 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 40.29 26.84 0.13 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 110.951 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.08 HG11 HD23 ' A' ' 77' ' ' LEU . 3.0 t -103.15 127.52 56.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.428 0.722 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.67 107.26 2.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.951 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -117.29 136.04 53.39 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.7 m -96.06 160.36 14.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 108.457 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.456 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 4.7 m-20 -85.11 164.7 40.3 Favored Pre-proline 0 C--N 1.323 -0.565 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.663 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.97 -14.51 21.19 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.5 13.0 28.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.242 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.575 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.86 9.99 22.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.388 179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.663 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 2.3 m-85 -105.2 89.09 3.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.376 1.048 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.522 ' OG ' ' CD2' ' A' ' 67' ' ' LEU . 7.1 t -149.71 89.83 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.973 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -35.21 151.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.981 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.872 HG23 ' HB ' ' A' ' 65' ' ' THR . 11.0 p -150.95 148.29 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.915 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -140.4 138.81 35.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.378 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.893 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -97.69 125.22 42.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.093 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.682 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -62.39 158.33 17.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.45 -33.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.167 . . . . 0.0 109.258 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 58' ' ' ASP . 20.2 t-20 -89.24 35.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.682 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.05 42.7 2.37 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.435 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 14.5 m -109.15 103.69 12.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 110.035 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.75 86.73 2.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.242 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.6 p -96.29 81.63 3.33 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.566 1.166 . . . . 0.0 109.95 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.872 ' HB ' HG23 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -109.23 127.25 54.1 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 52.9 p -100.39 140.74 34.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 110.052 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.522 ' CD2' ' OG ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -153.51 -174.72 5.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 109.213 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.504 HG23 ' CG ' ' A' ' 70' ' ' ARG . 14.4 t -103.85 129.71 51.35 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 124.448 1.093 . . . . 0.0 110.441 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 17' ' ' THR . 24.5 t -89.72 85.83 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.416 1.073 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.504 ' CG ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -102.5 103.58 13.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.373 1.046 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.439 ' HB2' HD11 ' A' ' 13' ' ' LEU . 15.3 ttp180 -76.3 -31.89 58.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.234 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 27.8 m -94.19 129.35 40.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.481 ' HB3' ' CG ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 163.3 177.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.491 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 3.0 tp10 -80.77 120.86 25.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.11 159.89 26.77 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -133.14 127.96 35.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.96 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.08 HD23 HG11 ' A' ' 44' ' ' VAL . 4.0 mp -67.86 151.11 47.69 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.388 1.055 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -79.89 -17.89 52.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.43 -48.09 82.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.235 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.15 -26.18 0.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.398 1.061 . . . . 0.0 111.054 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.45 HG23 HD13 ' A' ' 77' ' ' LEU . 6.5 t -90.11 168.97 11.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 0.78 . . . . 0.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -112.56 148.7 33.97 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.786 ' HB2' HD11 ' A' ' 77' ' ' LEU . 37.9 t-105 -103.48 -89.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 142.4 -76.17 0.31 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.366 1.041 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.939 ' O ' HG22 ' A' ' 86' ' ' VAL . 1.4 m 66.73 -61.47 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 0.729 . . . . 0.0 110.41 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.939 HG22 ' O ' ' A' ' 85' ' ' THR . 0.8 OUTLIER 80.45 -22.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.722 ' H ' HG22 ' A' ' 85' ' ' THR . 2.1 t0 -141.24 103.67 4.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 42.0 t -91.2 43.14 1.13 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.68 1.237 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t -89.64 -14.1 35.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.379 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.7 m -88.65 -51.7 5.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.461 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.2 116.9 29.19 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -53.49 110.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.649 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -83.49 123.83 30.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.423 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.551 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.9 pt20 -101.72 117.55 35.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.507 HG22 ' HB3' ' A' ' 36' ' ' GLN . 2.8 t -86.04 109.2 18.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -156.54 177.71 33.38 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.802 ' HB3' HG23 ' A' ' 34' ' ' VAL . 1.5 pt? -106.23 117.67 34.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.425 0.721 . . . . 0.0 109.33 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.6 t -83.24 129.54 35.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.446 ' HA ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -64.53 161.85 16.57 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.26 10.94 15.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.66 -17.0 24.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.149 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.455 ' C ' ' ND2' ' A' ' 103' ' ' ASN . . . 102.22 42.5 2.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.087 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.455 ' ND2' ' C ' ' A' ' 102' ' ' GLY . 0.2 OUTLIER -140.84 152.4 45.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 0.743 . . . . 0.0 109.195 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.444 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -135.35 62.15 0.62 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.3 Cg_endo -75.11 -32.49 5.21 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.98 141.17 30.53 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.644 1.215 . . . . 0.0 110.336 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 95' ' ' VAL . . . 144.17 126.78 1.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 110' ' ' ILE . 2.1 p -105.37 123.35 59.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.509 0.77 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -59.89 87.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.661 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.1 OUTLIER -92.52 138.65 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 8.0 p . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 110.054 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' THR . 18.7 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 111.06 -0.4 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.424 ' O ' ' HA2' ' A' ' 23' ' ' GLY . 3.5 p 36.37 -149.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.451 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.853 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -83.31 122.21 28.14 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.551 1.157 . . . . 0.0 109.216 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -143.57 143.45 31.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.565 HG22 ' CG2' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -74.19 130.6 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.618 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.71 -63.07 0.32 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.339 1.024 . . . . 0.0 110.385 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.913 ' CG ' HG11 ' A' ' 19' ' ' VAL . 17.8 Cg_endo -75.08 -160.75 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.549 1.815 . . . . 0.0 110.978 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.535 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 15.5 p -151.51 -70.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.891 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.04 158.1 19.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.53 26.2 30.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.594 1.184 . . . . 0.0 111.012 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.026 HD12 HG23 ' A' ' 110' ' ' ILE . 83.8 mt -90.64 150.44 21.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.556 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.0 t -123.3 156.83 34.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.894 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.428 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 5.5 p-10 -58.16 79.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.573 ' HA2' HG22 ' A' ' 68' ' ' THR . . . 134.78 33.3 0.29 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.557 1.16 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.789 HG21 HD22 ' A' ' 13' ' ' LEU . 22.4 m -89.49 105.28 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 110.483 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.621 HG22 ' OG1' ' A' ' 68' ' ' THR . 21.8 t -73.79 116.81 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.913 HG11 ' CG ' ' A' ' 9' ' ' PRO . 1.7 m -141.91 171.84 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.373 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -115.75 127.07 54.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.39 1.056 . . . . 0.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.613 ' HB ' HG23 ' A' ' 65' ' ' THR . 2.1 t -94.09 110.33 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.55 126.25 35.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.666 1.229 . . . . 0.0 109.211 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.909 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -104.67 127.54 9.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.402 1.064 . . . . 0.0 111.01 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.84 102.63 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.402 ' HA2' ' HA3' ' A' ' 61' ' ' GLY . . . 76.88 29.22 57.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.639 1.212 . . . . 0.0 110.988 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.853 HD12 ' HB2' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -77.64 -143.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.582 0.813 . . . . 0.0 109.342 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.704 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 6.8 mm-40 -37.81 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 110.185 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.705 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . 28.7 87.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.209 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.17 -39.05 3.03 Favored Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.404 1.065 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.508 ' HB ' ' CD ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -90.89 -160.68 0.74 Allowed 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.312 0.654 . . . . 0.0 110.346 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.918 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -158.21 150.38 21.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.704 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.4 m-30 -144.56 170.14 16.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -90.5 118.57 30.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.439 1.087 . . . . 0.0 109.222 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.072 HG22 HD22 ' A' ' 97' ' ' LEU . 53.1 t -76.41 141.16 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.566 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 170.53 156.91 11.79 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.458 1.099 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -92.56 102.69 15.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.576 0.809 . . . . 0.0 110.225 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 3.7 t -106.18 149.36 26.89 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.135 . . . . 0.0 108.321 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -175.43 166.56 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.602 1.189 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.503 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 45.8 p-90 -69.13 106.55 2.86 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 108.102 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.887 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -90.08 -46.3 14.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.584 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -90.65 -163.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.2 m -63.89 81.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 110.315 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.75 17.7 69.5 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.393 1.058 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.483 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 58.2 t -93.61 111.1 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.457 0.739 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.7 101.17 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.887 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -114.35 141.37 47.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 37.3 m -101.52 155.46 18.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 108.334 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.454 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 5.5 m-20 -80.63 165.04 48.41 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.551 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.97 -16.19 20.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.567 1.825 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.53 13.75 29.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.611 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.59 12.89 13.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 4.1 m-85 -105.48 91.35 3.73 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.508 1.13 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.414 ' OG ' ' CD2' ' A' ' 67' ' ' LEU . 37.3 t -144.32 81.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.548 ' O ' HG23 ' A' ' 55' ' ' VAL . 27.0 t -40.74 142.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.649 1.218 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.809 ' HB ' HG23 ' A' ' 34' ' ' VAL . 1.1 t -159.69 161.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.918 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -134.16 151.49 51.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.618 1.199 . . . . 0.0 110.347 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' A' ' 27' ' ' GLN . . . -105.4 136.76 44.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.597 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -72.15 152.71 42.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.28 -32.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.205 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 58' ' ' ASP . 22.7 t-20 -88.13 38.0 0.83 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.383 1.052 . . . . 0.0 109.221 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.705 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . . . 39.46 33.43 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.454 1.096 . . . . 0.0 111.033 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -90.56 99.7 12.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 110.021 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.909 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . . . -105.01 78.76 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.61 1.194 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.9 p -89.13 84.1 6.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.027 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.673 ' OG1' HG21 ' A' ' 55' ' ' VAL . 6.1 t -105.67 159.68 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 p -134.04 127.42 32.22 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.594 1.183 . . . . 0.0 110.075 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.565 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -155.1 173.02 17.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.242 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.621 ' OG1' HG22 ' A' ' 18' ' ' VAL . 93.0 m -106.51 144.39 33.25 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.515 1.134 . . . . 0.0 110.33 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.542 HG21 HD13 ' A' ' 13' ' ' LEU . 10.6 t -92.18 81.88 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.546 1.154 . . . . 0.0 109.393 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.448 ' HD3' ' CA ' ' A' ' 16' ' ' GLY . 8.4 mmt180 -90.5 65.35 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 111' ' ' SER . 4.5 ttm180 -40.27 -33.16 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -89.1 129.48 35.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.01 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.527 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 162.27 173.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.623 1.202 . . . . 0.0 110.951 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.433 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 5.7 tp10 -82.4 112.38 19.3 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.494 1.121 . . . . 0.0 110.231 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.39 162.47 43.85 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.337 1.023 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 1.5 m-85 -138.74 133.04 31.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.023 HD23 HG23 ' A' ' 81' ' ' THR . 0.3 OUTLIER -71.37 157.02 38.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 109.181 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -87.06 -17.81 32.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -47.23 86.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.23 -26.08 0.31 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.442 1.089 . . . . 0.0 110.972 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 1.023 HG23 HD23 ' A' ' 77' ' ' LEU . 1.8 t -89.78 169.63 11.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.385 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.588 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 11.0 ptt-85 -113.82 152.07 31.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.654 ' CD1' HG13 ' A' ' 40' ' ' VAL . 62.8 t-105 -104.57 -86.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 107.964 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.506 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 128.29 -83.64 0.33 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.873 HG22 ' H ' ' A' ' 87' ' ' ASP . 2.8 m 67.99 -60.83 0.4 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 0.763 . . . . 0.0 110.461 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.736 HG23 ' C ' ' A' ' 85' ' ' THR . 2.8 t 85.16 -18.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.218 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.873 ' H ' HG22 ' A' ' 85' ' ' THR . 6.3 t0 -139.21 100.98 4.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 36.7 t -91.73 44.85 1.19 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.8 t -90.63 -12.63 36.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.4 m -87.84 -53.51 4.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -93.49 111.85 23.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.387 1.055 . . . . 0.0 109.2 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.63 112.45 0.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 109.239 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.47 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -80.42 126.55 31.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 108.306 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.541 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 15.1 mt-30 -96.65 116.99 30.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.467 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 3.6 t -86.72 120.66 36.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.465 ' C ' HD23 ' A' ' 97' ' ' LEU . . . -176.97 178.32 48.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.555 1.159 . . . . 0.0 111.051 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.072 HD22 HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -105.75 130.15 53.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.255 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.444 ' CB ' ' HB3' ' A' ' 105' ' ' PRO . 97.2 p -102.26 167.82 9.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.592 1.182 . . . . 0.0 110.054 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.674 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -89.84 157.59 17.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.561 1.163 . . . . 0.0 109.354 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.81 4.99 50.19 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.5 -32.59 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.91 51.26 0.96 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.048 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 105' ' ' PRO . 15.9 m-20 -114.49 154.05 28.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -34.05 94.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.558 1.161 . . . . 0.0 111.083 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.3 Cg_endo -75.0 144.25 30.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.596 1.84 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.06 129.58 37.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.654 1.221 . . . . 0.0 110.37 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -157.45 143.84 9.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.381 1.051 . . . . 0.0 111.059 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.49 ' CG1' HD13 ' A' ' 110' ' ' ILE . 3.7 p -105.33 118.72 53.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.406 ' N ' ' HG2' ' A' ' 94' ' ' GLN . . . -61.07 86.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 1.026 HG23 HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -105.59 159.59 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.8 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.036 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.41 ' O ' HG23 ' A' ' 6' ' ' THR . 18.0 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 110.919 -0.454 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 1.5 p 46.35 -146.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.397 1.061 . . . . 0.0 110.483 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.659 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -78.41 122.74 26.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -141.7 143.08 33.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.414 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.77 HG12 ' HD2' ' A' ' 9' ' ' PRO . 1.5 t -83.22 138.36 19.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.709 1.256 . . . . 0.0 109.15 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.5 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -38.5 -51.42 3.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.474 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.77 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.03 -174.39 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.455 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 6.9 m -152.56 -40.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.6 p -146.06 171.96 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.601 1.188 . . . . 0.0 109.954 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 13' ' ' LEU . . . 60.11 27.35 64.82 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.53 1.144 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.623 HD23 ' HB3' ' A' ' 111' ' ' SER . 0.2 OUTLIER -45.34 172.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 0.735 . . . . 0.0 109.286 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.551 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -132.95 149.73 52.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.07 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' SER . 6.6 p-10 -38.31 93.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.408 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 65.22 64.27 3.61 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.458 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 6.7 m -77.27 108.69 10.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.389 0.7 . . . . 0.0 110.507 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -75.62 119.83 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.407 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.694 HG11 ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -145.09 -178.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.6 1.187 . . . . 0.0 109.17 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -107.63 138.19 44.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.332 1.02 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 6' ' ' THR . 2.4 t -112.22 100.14 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.356 1.035 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.28 132.27 34.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -112.18 109.19 2.38 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.472 1.107 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.17 108.9 21.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.37 36.86 54.69 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.832 HD21 HD21 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -83.35 -124.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 0.775 . . . . 0.0 109.361 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.948 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 29.1 mm-40 -40.87 -23.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.58 1.175 . . . . 0.0 110.379 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 67.14 9.38 6.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.353 1.033 . . . . 0.0 109.246 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 136.86 -11.25 3.94 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.493 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -80.3 -168.13 1.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 0.751 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.571 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -144.15 144.25 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.069 . . . . 0.0 109.402 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.852 ' HB2' HD12 ' A' ' 97' ' ' LEU . 2.0 m-30 -150.36 -167.03 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.511 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -113.78 127.86 56.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.933 HG23 HG11 ' A' ' 55' ' ' VAL . 1.1 t -89.53 150.87 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.103 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.636 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 168.78 152.12 7.55 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.681 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.3 104.78 16.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 0.708 . . . . 0.0 110.246 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.42 152.29 24.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.36 1.037 . . . . 0.0 108.264 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -178.09 161.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.418 ' CZ2' ' HA ' ' A' ' 91' ' ' ALA . 29.4 p-90 -62.44 116.19 4.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 107.944 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.03 HG22 ' OG1' ' A' ' 85' ' ' THR . 0.3 OUTLIER -102.61 -40.93 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.658 1.224 . . . . 0.0 109.228 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.5 ' HB2' HD22 ' A' ' 77' ' ' LEU . 1.8 t70 -83.65 -154.18 0.15 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.684 ' O ' HG23 ' A' ' 42' ' ' THR . 11.5 t -85.35 54.11 2.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.47 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.97 3.78 33.91 Favored Glycine 0 CA--C 1.532 1.156 0 O-C-N 124.466 1.104 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.435 HG23 ' HB3' ' A' ' 41' ' ' ASP . 8.6 t -91.53 114.8 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.804 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 108.54 1.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.975 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -118.98 140.6 49.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.2 m -99.45 158.65 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 108.256 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.552 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -88.45 170.93 10.18 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.379 1.05 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.01 -12.89 21.5 Favored 'Trans proline' 0 C--N 1.358 1.059 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.21 16.69 24.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.382 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.636 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.6 t70 -88.23 4.87 44.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -108.23 93.38 4.5 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.474 ' O ' ' C ' ' A' ' 54' ' ' SER . 8.6 t -150.38 86.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.051 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 53' ' ' SER . 88.5 p -33.04 148.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 110.065 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.933 HG11 HG23 ' A' ' 34' ' ' VAL . 9.3 p -153.47 159.36 3.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.676 1.235 . . . . 0.0 109.339 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.531 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 1.3 m -152.41 138.05 17.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.396 1.06 . . . . 0.0 110.481 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.948 ' HB3' ' HB2' ' A' ' 27' ' ' GLN . . . -105.22 130.23 53.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -59.27 159.24 7.97 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.335 1.022 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.81 -33.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.209 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' ASP . 22.7 t30 -88.18 36.44 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 0.0 109.343 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.644 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.18 38.05 1.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.411 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 16.4 m -98.82 94.37 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.108 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.925 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.56 89.24 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 109.337 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 m -97.33 80.39 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.846 HG21 HG21 ' A' ' 34' ' ' VAL . 3.9 t -108.08 132.36 53.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.1 p -95.88 142.12 28.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.909 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.821 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -152.96 168.08 27.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.631 1.207 . . . . 0.0 109.225 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.821 ' H ' HD13 ' A' ' 67' ' ' LEU . 14.9 t -105.02 134.87 47.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 110.419 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.515 HG12 HD22 ' A' ' 13' ' ' LEU . 21.7 t -87.49 88.1 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.633 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -87.23 87.5 7.45 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.477 1.111 . . . . 0.0 110.363 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.511 ' CZ ' HD11 ' A' ' 13' ' ' LEU . 4.3 ttm-85 -53.7 -34.05 57.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.302 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.618 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 86.5 p -104.79 128.48 52.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.375 1.047 . . . . 0.0 110.037 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.633 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -177.14 176.08 1.43 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.583 1.177 . . . . 0.0 111.065 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.43 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 2.1 tp10 -94.15 109.71 21.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 110.347 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.7 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -72.52 153.62 49.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.4 1.063 . . . . 0.0 110.977 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.53 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 2.6 m-85 -128.72 113.52 15.46 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 0.789 . . . . 0.0 111.01 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.799 HD21 ' HB2' ' A' ' 83' ' ' TRP . 23.6 mt -53.21 155.36 2.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -74.3 -31.87 62.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.48 -50.69 64.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.49 -22.86 0.56 Allowed Glycine 0 CA--C 1.532 1.128 0 O-C-N 124.583 1.177 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 43.9 m -80.7 153.0 28.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.611 0.83 . . . . 0.0 110.36 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.53 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -99.05 135.59 40.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.369 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.799 ' HB2' HD21 ' A' ' 77' ' ' LEU . 34.0 t-105 -97.53 -89.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.017 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.504 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 146.12 -75.39 0.29 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 1.03 ' OG1' HG22 ' A' ' 40' ' ' VAL . 15.7 m 68.7 -55.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.589 0.817 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.618 ' O ' ' HA ' ' A' ' 72' ' ' SER . 61.6 t 74.38 -104.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.371 1.044 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.449 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -62.49 110.54 1.71 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.378 1.048 . . . . 0.0 109.309 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 38.3 t -87.84 48.22 1.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 0.0 108.322 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.1 t -93.08 -17.93 23.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.5 m -89.1 -56.92 3.08 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.527 1.142 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.436 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -91.37 147.36 23.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.86 119.69 25.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.26 120.9 26.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 108.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 10.6 mt-30 -96.64 114.12 25.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 110.287 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.681 HG22 ' HG2' ' A' ' 36' ' ' GLN . 12.7 t -88.11 113.42 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -165.99 179.14 40.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.353 1.033 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.852 HD12 ' HB2' ' A' ' 32' ' ' TYR . 1.4 pt? -107.4 144.09 34.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 0.721 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 p -89.88 155.73 18.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -95.81 157.77 15.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.55 -0.82 31.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.58 -8.98 27.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 62.68 51.09 58.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.339 1.024 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 105' ' ' PRO . 69.5 m-20 -125.05 150.54 46.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -35.43 96.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.39 1.056 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.3 Cg_endo -75.09 176.62 9.68 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.539 1.81 . . . . 0.0 110.961 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.67 106.57 18.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -124.47 132.19 8.15 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.556 1.16 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 110' ' ' ILE . 6.7 p -101.55 119.2 49.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 109.3 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.0 83.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.378 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.542 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -101.47 125.34 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.623 ' HB3' HD23 ' A' ' 13' ' ' LEU . 2.3 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.947 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.469 ' HG2' HG21 ' A' ' 6' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.802 0 N-CA-C 110.841 -0.484 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 3' ' ' PRO . 30.0 p 47.74 -121.11 1.27 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 110.34 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 1.026 ' HB2' HD22 ' A' ' 26' ' ' LEU . . . -88.59 122.76 32.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.469 HG21 ' HG2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -148.54 151.84 35.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.512 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.048 HG12 ' HD2' ' A' ' 9' ' ' PRO . 5.4 t -83.93 133.52 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.582 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.68 -60.78 0.43 Allowed Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.577 1.173 . . . . 0.0 110.346 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.048 ' HD2' HG12 ' A' ' 7' ' ' VAL . 17.9 Cg_endo -75.04 -160.35 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.929 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.2 m -152.64 -62.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.056 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 t -125.26 162.08 25.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.61 1.194 . . . . 0.0 109.944 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.12 20.46 62.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.575 1.172 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.799 HD21 ' HG2' ' A' ' 9' ' ' PRO . 1.1 mp -73.49 160.44 31.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.228 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.9 t -123.83 152.01 42.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.992 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.6 80.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 124.77 37.35 0.55 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.097 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.0 m -88.04 104.87 17.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 0.735 . . . . 0.0 110.48 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.55 HG22 ' OG1' ' A' ' 68' ' ' THR . 11.9 t -75.1 119.29 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.951 HG11 ' HG3' ' A' ' 9' ' ' PRO . 2.4 m -141.47 176.95 3.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 4.3 ttpm? -110.09 129.17 55.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 0.0 109.345 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' THR . 2.7 t -101.95 108.74 24.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.424 1.078 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -90.12 132.92 35.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.237 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -108.28 87.17 0.48 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.513 1.133 . . . . 0.0 111.094 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.41 89.38 7.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 109.419 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.92 30.03 9.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.026 HD22 ' HB2' ' A' ' 5' ' ' ALA . 7.5 tp -78.48 -129.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.994 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.6 mp0 -71.39 98.01 1.72 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.0 91.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.62 1.2 . . . . 0.0 109.423 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 66.9 6.91 39.86 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.402 1.064 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.593 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -89.49 177.49 6.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 0.73 . . . . 0.0 110.294 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.841 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -146.86 116.91 7.28 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.498 1.123 . . . . 0.0 109.224 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.885 ' HB2' HD12 ' A' ' 97' ' ' LEU . 17.0 m-30 -123.22 -166.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.046 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 2.8 t0 -103.41 121.46 42.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.726 HG23 HG11 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -90.64 139.26 17.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.552 1.158 . . . . 0.0 109.412 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.545 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 174.0 153.42 9.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 0.0 111.103 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.763 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -92.54 111.16 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 0.0 110.278 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.688 ' SG ' HD11 ' A' ' 45' ' ' LEU . 1.8 t -108.79 153.26 23.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -177.3 159.09 1.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -64.35 115.71 5.35 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.499 1.125 . . . . 0.0 108.049 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.996 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -97.14 -42.6 11.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.238 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.595 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.9 OUTLIER -83.53 -153.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.35 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 42' ' ' THR . 10.2 t -80.85 52.68 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.366 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.11 0.26 35.64 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.58 1.175 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.61 HG11 HD23 ' A' ' 77' ' ' LEU . 18.9 t -81.83 112.43 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.631 0.842 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.688 HD11 ' SG ' ' A' ' 37' ' ' CYS . 2.2 tm? -60.0 107.9 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.249 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.996 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -119.74 138.15 53.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.085 . . . . 0.0 109.283 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.0 m -101.15 157.45 16.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 108.371 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.615 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 1.5 m120 -86.86 165.14 33.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.445 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -74.88 -9.64 21.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.73 12.23 31.2 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.558 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -87.98 7.79 29.48 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.474 1.109 . . . . 0.0 109.377 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 11.5 m-85 -105.51 87.75 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.183 . . . . 0.0 111.0 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.54 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -148.58 86.37 1.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.367 1.042 . . . . 0.0 109.993 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' SER . 54.2 p -36.07 149.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.025 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.726 HG11 HG23 ' A' ' 34' ' ' VAL . 9.9 p -151.09 157.07 5.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 109.239 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.841 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -148.08 137.64 22.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 1.055 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.65 131.6 53.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -51.3 159.56 0.66 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.94 -29.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.43 ' N ' ' C ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -88.71 34.09 0.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.91 43.68 6.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.7 OUTLIER -107.11 96.08 6.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 0.714 . . . . 0.0 110.035 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 1.055 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.97 87.24 2.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.1 p -94.85 78.02 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.87 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.666 ' HB ' HG23 ' A' ' 55' ' ' VAL . 1.2 t -108.8 132.27 54.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 15.2 p -98.96 143.62 29.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.669 HD12 ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -149.4 173.81 13.14 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.55 ' OG1' HG22 ' A' ' 18' ' ' VAL . 17.5 m -105.59 130.25 53.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.608 1.192 . . . . 0.0 110.351 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 69' ' ' VAL . 38.7 t -87.74 87.34 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.173 . . . . 0.0 109.32 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.632 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 35.4 mtt-85 -95.48 75.39 3.3 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.613 ' NH1' HG22 ' A' ' 89' ' ' THR . 1.4 ttp85 -37.47 -30.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.285 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.518 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 41.9 m -94.87 116.24 28.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.632 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -160.17 161.06 33.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.448 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 2.3 tp10 -86.37 94.23 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.074 . . . . 0.0 110.298 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.877 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -52.45 150.74 8.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -134.99 106.51 6.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 0.728 . . . . 0.0 110.934 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 81' ' ' THR . 1.6 mp -49.49 145.7 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -70.84 -25.36 62.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.64 -29.75 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.621 1.201 . . . . 0.0 109.237 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.7 -10.86 6.34 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.545 1.153 . . . . 0.0 111.072 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.781 ' O ' HD12 ' A' ' 77' ' ' LEU . 16.7 m -89.82 145.78 24.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.337 0.669 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -94.73 135.67 35.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.595 ' CE3' ' OD2' ' A' ' 41' ' ' ASP . 72.2 t-105 -103.79 -90.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 107.98 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.473 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 145.17 -81.86 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.693 ' OG1' HG22 ' A' ' 40' ' ' VAL . 2.2 m 66.76 -56.98 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 110.507 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.59 HG12 ' N ' ' A' ' 87' ' ' ASP . 95.2 t 71.31 -105.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 124.421 1.075 . . . . 0.0 109.257 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.59 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -50.59 110.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 41.9 t -90.06 43.9 1.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 108.248 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.613 HG22 ' NH1' ' A' ' 71' ' ' ARG . 71.8 p -88.12 -21.89 24.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 m -88.53 -56.75 3.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.362 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.435 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.72 155.19 18.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.645 1.216 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.08 126.66 36.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.16 . . . . 0.0 109.199 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.76 121.52 33.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.59 1.181 . . . . 0.0 108.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 16.4 mt-30 -99.15 113.15 25.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.351 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.535 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.6 t -87.54 113.16 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.387 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -161.62 176.02 38.14 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.413 1.07 . . . . 0.0 111.062 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.934 HD11 ' OE1' ' A' ' 27' ' ' GLN . 1.5 pt? -105.71 134.74 48.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.395 0.703 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.7 p -86.72 136.64 32.94 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.581 1.176 . . . . 0.0 109.993 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -70.18 160.8 31.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.385 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.42 0.3 46.73 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.393 1.058 . . . . 0.0 109.358 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -100.13 -11.5 20.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.236 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.35 52.82 11.65 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.43 1.081 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLY . 25.4 m120 -121.55 144.07 48.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.579 0.811 . . . . 0.0 109.32 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.72 97.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.5 Cg_endo -75.05 168.2 25.33 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.11 108.15 19.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.62 1.2 . . . . 0.0 110.227 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -116.63 139.48 15.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 95' ' ' VAL . 14.9 p -100.6 122.88 53.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 0.73 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.96 88.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.609 HG13 HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -98.79 139.06 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.584 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.389 1.055 . . . . 0.0 109.981 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.602 ' O ' HG23 ' A' ' 6' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.457 ' O ' ' O ' ' A' ' 22' ' ' ALA . 71.3 p 44.36 -141.13 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 110.399 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.768 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -74.61 117.16 16.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -139.55 146.28 39.7 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.987 HG13 ' HB ' ' A' ' 19' ' ' VAL . 2.5 t -86.98 117.9 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.777 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -53.41 -70.31 0.29 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.913 ' HG2' HG12 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.98 55.56 3.97 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.642 ' HA ' HD11 ' A' ' 13' ' ' LEU . 91.5 p -88.05 24.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.46 126.62 53.65 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.414 1.071 . . . . 0.0 110.084 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.95 49.42 13.32 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.642 HD11 ' HA ' ' A' ' 10' ' ' SER . 3.2 mp -62.95 172.35 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -139.48 154.35 47.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.04 87.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 112.86 37.39 1.4 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.568 HG22 HG13 ' A' ' 19' ' ' VAL . 1.1 m -93.15 121.6 34.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.42 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -74.34 114.62 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.987 ' HB ' HG13 ' A' ' 7' ' ' VAL . 26.8 m -121.3 159.17 23.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.493 1.12 . . . . 0.0 109.235 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -106.63 113.9 27.68 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.55 HG12 ' HB1' ' A' ' 5' ' ' ALA . 3.1 t -88.98 93.89 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.46 117.36 28.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.449 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -98.53 97.94 1.95 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.09 98.47 10.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.769 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.29 32.82 10.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.876 HD11 HD21 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -95.23 -142.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 0.0 109.364 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.868 HE22 HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -49.59 90.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.08 75.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.606 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 85.27 3.28 87.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.505 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -93.67 -174.49 3.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 0.747 . . . . 0.0 110.453 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.741 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -146.97 145.04 29.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.622 1.201 . . . . 0.0 109.226 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.637 ' CD2' ' CG ' ' A' ' 27' ' ' GLN . 13.0 m-30 -142.98 -167.86 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 5.3 p-10 -103.39 114.33 28.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.435 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.847 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -88.32 133.83 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.619 1.199 . . . . 0.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.639 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . -178.17 153.41 12.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.356 1.035 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.662 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -92.33 104.0 16.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.232 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 1.8 t -106.65 151.16 25.44 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 177.05 163.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.7 m-90 -60.21 110.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 107.911 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.001 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -100.04 -39.24 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.429 1.081 . . . . 0.0 109.348 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.59 ' OD2' ' CZ3' ' A' ' 83' ' ' TRP . 3.7 t0 -84.63 -156.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.347 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.743 ' O ' HG23 ' A' ' 42' ' ' THR . 6.6 t -82.44 54.42 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.14 1.61 35.84 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.391 1.057 . . . . 0.0 111.054 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.483 HG23 ' HB3' ' A' ' 41' ' ' ASP . 4.9 t -89.38 122.15 40.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.602 0.825 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.404 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.4 OUTLIER -67.84 105.7 2.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.001 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -117.36 140.65 49.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 58.6 m -98.3 157.7 16.02 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 108.289 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.599 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -82.07 163.36 53.45 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.38 1.05 . . . . 0.0 109.347 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 73' ' ' PHE . 18.1 Cg_endo -74.98 -16.2 20.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.39 16.43 26.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.611 1.194 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.639 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -88.25 9.48 22.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.462 ' CD2' ' O ' ' A' ' 49' ' ' PRO . 1.8 m-85 -105.57 87.08 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.508 ' HB2' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -151.14 87.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 24.0 p -43.98 139.1 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.868 HG13 HE22 ' A' ' 27' ' ' GLN . 5.6 p -126.01 161.65 31.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.379 1.05 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.741 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -147.36 126.62 13.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.417 1.073 . . . . 0.0 110.518 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 1.013 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -104.07 132.21 50.55 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -50.29 158.66 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.611 1.195 . . . . 0.0 109.367 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.45 -28.87 0.14 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 58' ' ' ASP . 10.9 t30 -88.18 33.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.34 42.53 5.62 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.355 1.034 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.414 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 1.5 m -106.47 98.85 8.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.282 0.637 . . . . 0.0 109.969 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 1.013 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.12 79.2 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.628 1.205 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 m -94.29 71.92 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.683 HG21 HG23 ' A' ' 55' ' ' VAL . 70.2 p -111.39 136.99 49.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.3 p -99.15 142.07 31.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.758 HD12 ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -137.04 170.47 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.788 HG22 ' HG2' ' A' ' 70' ' ' ARG . 35.1 m -94.81 129.7 41.67 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.698 HG22 HD11 ' A' ' 110' ' ' ILE . 47.1 t -89.71 87.06 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.788 ' HG2' HG22 ' A' ' 68' ' ' THR . 0.6 OUTLIER -106.5 79.8 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.204 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.459 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -56.36 -29.6 61.61 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.426 1.079 . . . . 0.0 110.247 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 0.6 OUTLIER -85.6 111.91 20.49 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.351 1.032 . . . . 0.0 109.991 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 179.53 164.4 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 111.053 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.485 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 12.8 tt0 -81.42 118.74 22.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.371 1.045 . . . . 0.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.67 168.6 43.9 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.441 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -140.45 122.5 15.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.939 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.663 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -63.41 137.89 58.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -57.85 -26.84 62.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.89 -52.87 46.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 154.71 -21.7 0.61 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.466 1.104 . . . . 0.0 111.051 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.506 ' O ' HD22 ' A' ' 77' ' ' LEU . 91.4 m -87.34 148.07 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 0.815 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -90.88 141.98 28.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.621 1.2 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.612 ' HB2' HD11 ' A' ' 77' ' ' LEU . 58.1 t-105 -105.64 -90.98 0.4 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.501 1.126 . . . . 0.0 108.073 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.504 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 146.23 -80.66 0.22 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.542 ' O ' ' HB ' ' A' ' 86' ' ' VAL . 5.2 m 68.85 -56.41 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.602 0.825 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.542 ' HB ' ' O ' ' A' ' 85' ' ' THR . 60.5 t 76.82 -103.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 0.0 109.24 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.421 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -65.19 89.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.602 1.189 . . . . 0.0 109.371 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 13.7 t -73.59 60.54 0.68 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.474 1.109 . . . . 0.0 108.353 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.8 t -103.6 -12.15 17.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.4 m -89.98 -57.86 2.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 110.524 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.421 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.05 124.91 35.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.7 120.61 9.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.4 1.063 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.408 ' HB2' ' NH1' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -90.26 126.17 35.75 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.493 1.12 . . . . 0.0 108.37 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.555 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 6.4 mt-30 -98.06 110.63 23.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.036 HG21 HD12 ' A' ' 110' ' ' ILE . 19.1 t -86.54 105.3 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -153.85 175.4 32.16 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.546 1.154 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.876 HD21 HD11 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -108.77 135.71 49.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 0.739 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.44 133.9 36.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.941 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.63 160.97 31.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.94 11.36 16.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.43 -24.7 18.76 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.419 1.074 . . . . 0.0 109.247 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 110.31 38.68 1.61 Allowed Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.426 1.079 . . . . 0.0 111.063 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.65 152.63 48.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.468 0.746 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.427 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -134.89 62.77 0.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.2 Cg_endo -75.08 -26.35 10.87 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.456 1.766 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.92 142.54 35.04 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.79 109.76 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.944 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 95' ' ' VAL . 8.9 p -92.7 134.26 31.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.489 0.758 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.09 94.72 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.549 1.156 . . . . 0.0 109.375 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 1.036 HD12 HG21 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -71.02 118.54 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 10' ' ' SER . 7.9 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.832 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.427 ' O ' HG23 ' A' ' 6' ' ' THR . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.946 0 N-CA-C 110.93 -0.45 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.574 ' HB ' HD23 ' A' ' 26' ' ' LEU . 1.5 p 40.45 -149.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.434 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.416 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -78.72 117.55 19.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.565 1.165 . . . . 0.0 109.347 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -139.53 146.25 39.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.372 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.924 ' HB ' HD13 ' A' ' 110' ' ' ILE . 0.9 OUTLIER -87.43 127.75 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.733 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -28.79 -69.43 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 110.35 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.896 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.96 -159.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.559 ' HA ' HD11 ' A' ' 110' ' ' ILE . 6.1 m -148.43 -79.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.964 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.0 t -107.13 160.89 15.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.44 1.088 . . . . 0.0 110.072 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.82 30.19 32.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.417 1.073 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.643 ' CD1' HG11 ' A' ' 69' ' ' VAL . 9.7 mt -78.45 164.94 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.234 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.609 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.0 OUTLIER -125.87 149.7 48.47 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.458 1.099 . . . . 0.0 109.919 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -56.61 77.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.609 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 123.72 39.37 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.064 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 14' ' ' SER . 59.3 m -88.87 110.9 21.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.399 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -73.48 124.56 30.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.631 HG21 HG13 ' A' ' 7' ' ' VAL . 4.6 m -143.08 160.52 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -95.58 125.1 39.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.406 ' HB ' ' O ' ' A' ' 65' ' ' THR . 58.9 t -102.54 98.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -90.35 123.73 34.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.432 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -110.05 82.3 0.3 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.0 116.91 21.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.392 0.701 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.0 40.72 98.49 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.539 1.149 . . . . 0.0 111.053 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.644 HD13 ' N ' ' A' ' 27' ' ' GLN . 3.4 tm? -103.69 -94.65 0.32 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.62 0.835 . . . . 0.0 109.371 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.644 ' N ' HD13 ' A' ' 26' ' ' LEU . 15.0 mt-30 -48.81 -21.77 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.401 1.063 . . . . 0.0 110.292 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 71.26 6.65 5.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.671 1.232 . . . . 0.0 109.363 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.58 0.54 23.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.585 1.178 . . . . 0.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -80.54 -158.86 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 0.738 . . . . 0.0 110.428 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.729 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -136.65 115.54 12.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.412 1.07 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.563 ' CD1' ' HA ' ' A' ' 99' ' ' ASP . 16.3 m-30 -122.75 163.96 19.21 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.432 1.082 . . . . 0.0 110.985 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' SER . 22.4 m-20 -88.82 119.26 29.15 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.891 HG21 HG21 ' A' ' 65' ' ' THR . 61.0 t -78.04 131.86 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.369 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.586 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 173.42 150.62 7.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.746 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -93.93 113.97 26.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 110.278 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.72 148.38 30.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.254 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -170.06 159.75 7.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.209 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 14.9 p90 -69.92 111.72 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 108.021 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.802 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -95.07 -45.36 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.593 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -90.25 -163.32 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.402 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 m -66.46 83.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.353 1.033 . . . . 0.0 110.347 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.9 25.09 71.83 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.488 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 74.2 t -102.84 109.22 26.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 109.291 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.16 99.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.802 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -110.77 140.19 45.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.3 m -104.4 155.6 18.65 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.538 1.149 . . . . 0.0 108.225 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.637 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -84.97 169.48 16.25 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.64 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.13 -10.25 20.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.56 13.68 29.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.4 1.062 . . . . 0.0 109.384 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.586 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -90.07 6.83 40.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 2.2 m-85 -106.62 91.38 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -145.27 78.17 1.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 110.056 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p -45.69 139.34 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.65 HG21 ' OG1' ' A' ' 65' ' ' THR . 0.4 OUTLIER -164.0 161.33 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.729 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -132.79 158.41 42.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 110.29 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 1.085 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.89 152.95 23.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -66.06 158.76 27.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.234 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.61 -29.41 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 0.0 109.24 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 58' ' ' ASP . 3.5 t-20 -88.35 34.54 0.75 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.525 1.141 . . . . 0.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.59 41.45 3.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.43 1.081 . . . . 0.0 111.065 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 14.0 m -108.87 100.7 9.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 0.798 . . . . 0.0 110.037 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 1.085 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.19 86.86 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.355 1.035 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.8 p -88.51 76.87 8.14 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.585 1.178 . . . . 0.0 109.852 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.891 HG21 HG21 ' A' ' 34' ' ' VAL . 2.5 t -106.38 140.13 39.78 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 0.0 110.493 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.53 ' O ' HD22 ' A' ' 67' ' ' LEU . 51.1 p -103.84 139.31 39.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.53 HD22 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -145.34 168.73 19.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.2 t -104.21 133.78 48.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.373 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.643 HG11 ' CD1' ' A' ' 13' ' ' LEU . 81.3 t -88.44 85.95 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.684 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 2.6 mtp180 -89.5 71.74 7.95 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.518 1.137 . . . . 0.0 110.246 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 25.3 ttm180 -34.88 -33.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.526 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 1.0 OUTLIER -97.49 121.02 38.91 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.114 . . . . 0.0 110.08 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.684 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -167.62 170.04 11.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.938 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.436 ' OE1' ' CA ' ' A' ' 84' ' ' GLY . 5.0 tp10 -90.8 110.8 22.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.646 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -68.61 138.98 32.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.623 1.202 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.58 ' CE2' ' HG2' ' A' ' 82' ' ' ARG . 4.6 m-85 -122.91 109.88 14.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.973 HD23 HG23 ' A' ' 81' ' ' THR . 0.2 OUTLIER -58.43 132.79 54.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.391 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -59.29 -22.19 60.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -53.14 61.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.357 1.036 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.22 -27.04 0.43 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.973 HG23 HD23 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -82.57 150.04 27.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 0.726 . . . . 0.0 110.434 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.58 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -98.76 138.29 36.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.593 ' CE3' ' OD1' ' A' ' 41' ' ' ASP . 69.1 t-105 -100.67 -89.59 0.34 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.516 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 142.04 -81.3 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.637 ' OG1' HG22 ' A' ' 40' ' ' VAL . 1.2 m 69.02 -57.64 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 110.358 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.543 ' HB ' ' O ' ' A' ' 85' ' ' THR . 59.9 t 75.99 -102.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.415 ' N ' HG12 ' A' ' 86' ' ' VAL . 2.6 t0 -54.64 106.83 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 44.8 t -86.43 47.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.334 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.3 t -92.87 -20.86 20.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 m -88.35 -57.12 3.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.45 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.412 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.47 148.02 23.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.171 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -85.96 124.12 32.05 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -90.15 121.48 32.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.474 1.109 . . . . 0.0 108.401 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.583 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 29.1 mt-30 -96.31 112.45 24.19 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.639 1.212 . . . . 0.0 110.231 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.584 ' CG2' HG22 ' A' ' 110' ' ' ILE . 2.5 t -87.95 126.02 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.543 ' C ' HD13 ' A' ' 97' ' ' LEU . . . -177.14 169.53 41.85 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.898 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -106.94 113.38 26.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 0.743 . . . . 0.0 109.359 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 33' ' ' ASP . 8.9 t -98.12 164.13 12.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.923 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.563 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -52.76 163.49 0.46 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.84 -38.82 36.76 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.04 -27.84 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.227 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ASP . . . 94.42 20.29 30.16 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.555 1.159 . . . . 0.0 111.071 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -89.63 143.88 26.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.59 0.817 . . . . 0.0 109.196 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.52 123.04 5.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.56 1.163 . . . . 0.0 111.039 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 55.38 3.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.629 ' HG2' HD21 ' A' ' 26' ' ' LEU . 1.4 mp0 -90.84 99.62 12.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 172.42 145.36 4.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.396 1.06 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 11.2 p -105.4 130.61 56.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 O-C-N 124.438 0.728 . . . . 0.0 109.219 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -66.61 90.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.924 HD13 ' HB ' ' A' ' 7' ' ' VAL . 0.2 OUTLIER -112.18 144.33 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.383 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.3 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.041 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.621 ' HB ' HD22 ' A' ' 26' ' ' LEU . 3.9 p 44.97 -137.98 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.453 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.661 ' N ' HD23 ' A' ' 26' ' ' LEU . . . -79.69 133.0 36.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.594 1.184 . . . . 0.0 109.228 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.744 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -151.19 179.46 8.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.795 HG11 HD11 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -116.63 134.23 60.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.511 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -43.05 -57.26 5.3 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.56 1.162 . . . . 0.0 110.379 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.896 ' CG ' HG21 ' A' ' 19' ' ' VAL . 18.0 Cg_endo -74.99 -159.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.613 1.849 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' GLY . 50.4 m -148.66 -45.4 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.055 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 13' ' ' LEU . 67.7 m -69.37 63.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.657 ' CA ' HG21 ' A' ' 69' ' ' VAL . . . -39.42 -27.55 0.09 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.935 ' O ' HD12 ' A' ' 13' ' ' LEU . 4.0 pp -81.29 60.61 4.45 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.452 0.736 . . . . 0.0 109.238 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.659 ' O ' ' C ' ' A' ' 15' ' ' ASP . 41.3 t -127.43 81.8 2.04 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.618 1.199 . . . . 0.0 110.059 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.659 ' C ' ' O ' ' A' ' 14' ' ' SER . 2.1 m-20 16.73 78.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 69' ' ' VAL . . . 36.82 66.87 0.46 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.428 1.08 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.503 ' O ' HG12 ' A' ' 69' ' ' VAL . 1.0 OUTLIER -73.87 124.49 26.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 110.428 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.0 OUTLIER -93.85 126.9 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.896 HG21 ' CG ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -149.09 -168.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.368 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -117.71 138.45 52.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.744 HG13 ' O ' ' A' ' 6' ' ' THR . 2.6 t -104.28 114.98 45.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.94 139.99 30.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.434 1.084 . . . . 0.0 109.119 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.617 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -118.72 101.61 0.89 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.02 104.18 16.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.353 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.52 30.23 25.01 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.85 ' HG ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -90.87 -144.4 0.18 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 0.77 . . . . 0.0 109.336 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.928 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 21.0 mm-40 -51.51 89.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.81 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 74.86 7.21 80.5 Favored Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.548 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -89.81 -178.2 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.797 . . . . 0.0 110.335 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.613 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -137.23 116.67 12.79 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.121 . . . . 0.0 109.374 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 1.003 ' HB2' HD12 ' A' ' 97' ' ' LEU . 2.9 m-30 -118.45 -168.06 1.47 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 2.8 t0 -122.63 117.09 24.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 109.164 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.976 HG23 HG21 ' A' ' 55' ' ' VAL . 1.3 t -74.51 142.62 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.632 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 174.73 152.86 9.5 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.482 1.114 . . . . 0.0 111.064 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.598 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.74 101.26 13.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 5.3 t -106.22 149.83 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 108.333 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 92' ' ' ALA . . . -177.25 159.87 1.64 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.7 p90 -64.71 114.23 4.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 108.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.967 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -97.8 -42.73 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.603 ' OD1' HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -90.9 -161.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.7 m -68.25 79.16 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.75 25.04 75.99 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.547 1.154 . . . . 0.0 110.941 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.575 HG11 HD13 ' A' ' 77' ' ' LEU . 88.1 t -103.43 110.06 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.404 0.708 . . . . 0.0 109.378 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.9 mt -58.32 102.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.06 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.967 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -114.23 130.16 56.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 17.5 m -97.03 156.34 16.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 108.405 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.538 ' ND2' ' HB2' ' A' ' 36' ' ' GLN . 2.0 m-20 -85.29 163.4 45.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.98 -8.77 20.39 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.72 15.78 23.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 109.265 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.632 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -88.35 12.9 12.88 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.53 1.144 . . . . 0.0 109.218 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 1.1 m-85 -105.6 94.95 5.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.494 ' HB3' HG12 ' A' ' 34' ' ' VAL . 42.4 t -145.17 81.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.079 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.9 p -45.7 133.14 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.37 1.044 . . . . 0.0 110.044 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.976 HG21 HG23 ' A' ' 34' ' ' VAL . 7.0 m -151.29 169.06 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.241 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.613 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -145.71 147.1 31.59 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.548 1.155 . . . . 0.0 110.39 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.928 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -107.5 146.87 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -66.49 158.24 30.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.625 1.203 . . . . 0.0 109.225 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.39 -28.01 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.443 ' N ' ' C ' ' A' ' 58' ' ' ASP . 5.1 t30 -88.66 33.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 44.6 40.6 6.51 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.638 1.211 . . . . 0.0 111.062 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -100.9 96.46 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 0.0 109.96 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.748 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -95.1 101.29 13.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.343 1.027 . . . . 0.0 109.363 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.4 m -100.16 83.8 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.373 1.045 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.772 HG21 HG21 ' A' ' 34' ' ' VAL . 2.6 t -106.54 167.12 10.06 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.8 p -146.81 139.32 24.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.077 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' A' ' 67' ' ' LEU . 7.1 tp -166.92 177.0 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.68 HG23 ' HG3' ' A' ' 70' ' ' ARG . 15.1 t -107.5 145.79 32.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.477 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.657 HG21 ' CA ' ' A' ' 12' ' ' GLY . 15.0 p -89.0 84.88 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.68 ' HG3' HG23 ' A' ' 68' ' ' THR . 9.2 mtt180 -88.21 77.98 8.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.347 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -40.31 -39.89 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 2.2 p -83.8 115.2 22.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.499 ' CE2' ' HB2' ' A' ' 88' ' ' CYS . 7.2 p90 -159.14 155.34 27.05 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.426 1.079 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.412 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 3.5 tp10 -86.93 93.23 9.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.673 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -50.03 155.07 2.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -143.4 107.31 4.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 0.726 . . . . 0.0 110.99 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.712 HD21 ' HB2' ' A' ' 83' ' ' TRP . 4.5 mt -48.58 129.67 16.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -54.26 -29.39 46.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.955 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -55.56 -50.79 69.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.375 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.44 -25.61 0.53 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.939 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.0 m -75.78 141.25 42.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.385 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -93.85 138.77 31.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.712 ' HB2' HD21 ' A' ' 77' ' ' LEU . 67.1 t-105 -105.13 -87.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 108.043 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.501 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 140.12 -83.01 0.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 111.072 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.502 ' OG1' HG22 ' A' ' 40' ' ' VAL . 1.4 m 67.79 -57.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.389 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 85' ' ' THR . 61.9 t 72.34 -103.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.474 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -54.04 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.499 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 49.4 t -74.81 59.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 108.35 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 t -100.61 -25.05 14.3 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.364 1.04 . . . . 0.0 110.338 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 m -89.06 -47.43 8.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.76 147.02 23.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.492 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -87.89 118.01 27.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.404 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -91.93 123.22 35.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 108.257 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.492 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 8.4 mt-30 -97.7 115.59 28.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.351 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.598 HG22 ' HG2' ' A' ' 36' ' ' GLN . 18.3 t -87.95 105.74 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.412 1.07 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -153.09 175.31 31.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.003 HD12 ' HB2' ' A' ' 32' ' ' TYR . 1.4 pt? -106.9 128.1 54.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 0.815 . . . . 0.0 109.227 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 99.7 p -89.1 162.64 15.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.961 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.524 ' OD1' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -88.91 159.03 17.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.39 0.45 29.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.29 -89.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.632 1.207 . . . . 0.0 109.301 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -172.17 34.3 0.14 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.414 1.071 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -147.65 158.45 44.01 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.578 0.811 . . . . 0.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -171.76 65.15 0.14 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.593 1.183 . . . . 0.0 111.06 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 1.24 7.93 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.84 ' HG2' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -85.95 144.23 27.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 110.212 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 148.87 130.4 1.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.623 1.202 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.7 p -93.83 127.46 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.588 0.816 . . . . 0.0 109.278 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.24 88.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.617 1.198 . . . . 0.0 109.171 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.795 HD11 HG11 ' A' ' 7' ' ' VAL . 1.7 tt -85.37 148.84 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.4 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.941 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.413 ' O ' HG23 ' A' ' 6' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.801 0 N-CA-C 110.908 -0.459 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.486 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.4 p 43.88 -158.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.451 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.769 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -65.66 119.54 11.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.221 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.2 p -147.55 148.64 31.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.422 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.019 HG12 ' HD2' ' A' ' 9' ' ' PRO . 8.2 t -80.01 131.96 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.37 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.655 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -39.87 -63.39 0.69 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.181 . . . . 0.0 110.327 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.019 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.03 -158.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -142.18 -42.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 110.069 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 13' ' ' LEU . 75.0 m -62.8 78.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.875 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.533 ' C ' ' H ' ' A' ' 14' ' ' SER . . . -74.54 9.63 10.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.004 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 111' ' ' SER . 1.2 mt -77.02 33.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 0.731 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.533 ' H ' ' C ' ' A' ' 12' ' ' GLY . 41.3 t -125.04 75.54 1.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.478 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 8.4 p-10 -49.64 90.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 115.69 33.65 1.53 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.434 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.6 OUTLIER -91.0 117.92 29.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.429 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -88.52 118.58 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.937 HG11 ' CG ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -142.21 -178.25 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -109.6 132.54 54.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 6' ' ' THR . 55.4 t -107.61 103.64 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.39 1.056 . . . . 0.0 109.365 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.72 125.0 35.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -113.35 96.41 0.81 Allowed Glycine 0 CA--C 1.528 0.847 0 O-C-N 124.477 1.111 . . . . 0.0 110.947 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.66 118.85 34.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.352 0.678 . . . . 0.0 109.41 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.44 38.77 52.04 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.4 1.063 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.894 ' CD1' HD21 ' A' ' 97' ' ' LEU . 2.3 tt -99.06 -110.63 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 0.729 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.928 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 6.0 mp0 -44.25 -23.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.604 1.19 . . . . 0.0 110.341 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 26' ' ' LEU . . . 65.58 20.1 11.58 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.466 1.104 . . . . 0.0 109.224 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 119.17 -4.87 13.65 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.409 ' CA ' ' HB3' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -87.57 -161.92 0.75 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.572 0.807 . . . . 0.0 110.409 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.511 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -149.74 145.34 26.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 0.0 109.398 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.59 ' CD1' ' HA ' ' A' ' 99' ' ' ASP . 11.3 m-85 -151.18 -170.51 3.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.563 1.164 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.549 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.3 m-20 -101.95 127.49 48.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.611 1.194 . . . . 0.0 109.396 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.639 HG12 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -91.41 150.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.257 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.614 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 165.67 157.41 9.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.725 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.33 103.6 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 0.737 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.535 ' SG ' HD11 ' A' ' 45' ' ' LEU . 4.3 t -108.22 157.53 18.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.349 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 92' ' ' ALA . . . 176.99 160.82 0.41 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.651 1.219 . . . . 0.0 109.249 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.422 ' CG ' ' O ' ' A' ' 39' ' ' TRP . 18.6 p-90 -64.24 107.71 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 108.019 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.898 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -99.79 -48.62 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.629 1.206 . . . . 0.0 109.246 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.51 ' CG ' ' N ' ' A' ' 42' ' ' THR . 1.1 t70 -93.99 169.72 10.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.226 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 44' ' ' VAL . 6.2 m -32.72 96.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 41.81 25.85 0.24 Allowed Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.412 1.07 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.934 HG11 HD23 ' A' ' 77' ' ' LEU . 3.4 t -102.52 116.01 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.4 0.706 . . . . 0.0 109.202 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.535 HD11 ' SG ' ' A' ' 37' ' ' CYS . 8.0 tp -63.39 105.09 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.17 . . . . 0.0 109.242 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.898 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -117.0 138.68 51.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.0 m -102.6 155.1 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 108.387 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.587 ' ND2' ' HB2' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -81.03 168.25 26.37 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.594 ' HG2' ' CD1' ' A' ' 73' ' ' PHE . 18.6 Cg_endo -74.99 -11.54 21.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.2 14.46 27.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.635 1.209 . . . . 0.0 109.366 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.614 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -86.83 9.73 18.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.466 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 8.9 m-85 -107.55 90.78 3.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.639 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -150.93 87.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.613 1.195 . . . . 0.0 110.044 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 53' ' ' SER . 50.5 p -35.95 152.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.885 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.559 HG11 HG23 ' A' ' 34' ' ' VAL . 7.5 p -155.23 160.51 2.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.408 1.068 . . . . 0.0 109.238 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.511 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 2.7 m -150.81 135.31 17.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.31 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.973 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -105.43 127.9 53.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.601 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -49.26 160.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.36 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.79 -30.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.348 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.432 ' N ' ' C ' ' A' ' 58' ' ' ASP . 4.5 t-20 -89.0 35.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.384 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.05 41.49 3.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.581 1.176 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 1.3 m -105.55 93.87 4.9 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.406 0.709 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.973 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.86 89.34 2.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.182 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -98.73 82.71 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.644 1.215 . . . . 0.0 109.976 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.549 HG21 ' CG2' ' A' ' 55' ' ' VAL . 3.1 t -110.11 138.82 45.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.771 ' O ' HD22 ' A' ' 67' ' ' LEU . 42.4 p -98.43 138.12 36.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.053 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.771 HD22 ' O ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -149.46 176.48 10.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.382 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 17' ' ' THR . 93.5 m -105.38 137.65 42.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.605 1.191 . . . . 0.0 110.402 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.729 HG11 HD13 ' A' ' 110' ' ' ILE . 45.0 t -92.95 87.14 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.544 ' H ' HE22 ' A' ' 36' ' ' GLN . 6.2 mmt180 -87.46 66.45 9.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.626 1.204 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.443 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 3.5 ttm180 -40.53 -31.8 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.599 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -102.79 127.76 49.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.974 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.594 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 174.27 166.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.419 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -82.45 107.27 14.98 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.67 169.41 47.95 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.596 1.185 . . . . 0.0 110.989 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.585 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -142.3 123.17 14.38 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.395 0.703 . . . . 0.0 110.97 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.934 HD23 HG11 ' A' ' 44' ' ' VAL . 2.1 mp -58.83 149.02 27.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.473 ' CE2' HG13 ' A' ' 44' ' ' VAL . 34.4 p90 -65.45 -32.57 74.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 111.07 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.472 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 23.9 t0 -46.28 -46.29 17.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.671 1.232 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 145.25 -15.06 1.88 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.481 ' O ' HD12 ' A' ' 77' ' ' LEU . 14.3 m -90.67 153.92 19.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -90.88 140.61 29.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.477 ' CD2' ' HB2' ' A' ' 41' ' ' ASP . 46.0 t-105 -106.27 -92.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.62 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 155.23 -109.67 0.41 Allowed Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.616 1.197 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.62 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 18.7 m 90.79 -53.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.429 0.723 . . . . 0.0 110.344 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.599 ' O ' ' HA ' ' A' ' 72' ' ' SER . 60.5 t 68.08 -105.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.466 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -64.08 93.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 13.3 t -71.2 60.29 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.677 1.235 . . . . 0.0 108.294 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' ASP . 14.9 t -97.61 -19.99 17.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.09 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.5 m -87.76 -53.84 4.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.343 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.43 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.41 155.68 18.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.554 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -90.09 119.83 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.15 121.38 32.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 108.335 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.458 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 23.3 mt-30 -102.13 121.77 42.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.725 HG22 ' HG2' ' A' ' 36' ' ' GLN . 20.6 t -89.51 114.14 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -166.91 175.1 42.23 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.894 HD21 ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -107.56 136.19 47.74 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.395 0.703 . . . . 0.0 109.298 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 32' ' ' TYR . 76.7 p -93.37 150.23 20.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 110.046 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.59 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -87.15 157.86 19.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.54 16.16 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.51 -15.2 15.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.6 45.31 4.65 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.57 1.169 . . . . 0.0 111.082 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 19.6 m-20 -117.82 165.3 13.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 109.277 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -106.44 102.32 1.89 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.414 1.071 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.488 ' CG ' ' O ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.97 -175.99 2.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.49 112.52 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -102.52 153.43 18.4 Favored Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.525 1.141 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.656 ' O ' HG13 ' A' ' 108' ' ' VAL . 5.6 p -100.96 102.3 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.419 0.717 . . . . 0.0 109.338 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.51 85.91 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.492 1.12 . . . . 0.0 109.429 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.761 HD12 HG21 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -80.8 154.56 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.624 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.081 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.524 ' O ' HG23 ' A' ' 6' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.81 0 N-CA-C 110.922 -0.453 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.786 ' HB ' HD22 ' A' ' 26' ' ' LEU . 3.9 p 39.32 -150.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.456 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.913 ' HB1' ' CG1' ' A' ' 21' ' ' VAL . . . -70.79 129.54 39.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER -137.76 141.4 40.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.451 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.891 HG13 HG21 ' A' ' 19' ' ' VAL . 3.3 t -77.11 120.82 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.337 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.716 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -33.07 -67.53 0.19 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.35 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.809 ' CG ' HG11 ' A' ' 19' ' ' VAL . 18.0 Cg_endo -75.04 -158.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.02 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.521 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -139.19 -45.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.412 1.07 . . . . 0.0 109.942 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 111' ' ' SER . 84.0 p -77.15 81.45 3.66 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.485 1.115 . . . . 0.0 110.034 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -73.02 1.06 42.46 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.027 HD23 ' O ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -66.59 62.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.618 0.834 . . . . 0.0 109.401 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -144.35 117.62 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.936 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 14' ' ' SER . 4.6 m-20 -35.49 94.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 59.5 67.3 2.23 Favored Glycine 0 CA--C 1.528 0.869 0 O-C-N 124.567 1.167 . . . . 0.0 111.055 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 69' ' ' VAL . 2.2 m -70.01 109.83 4.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 0.728 . . . . 0.0 110.466 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.802 HG22 HG23 ' A' ' 68' ' ' THR . 1.6 t -84.84 112.6 22.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.587 1.179 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.891 HG21 HG13 ' A' ' 7' ' ' VAL . 30.1 m -138.94 -176.71 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.28 133.96 55.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.913 ' CG1' ' HB1' ' A' ' 5' ' ' ALA . 1.5 t -107.65 104.22 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 O-C-N 124.424 1.077 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -88.26 121.96 31.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.423 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -102.1 127.52 9.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.572 1.17 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.44 103.57 9.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 0.0 109.226 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.16 18.11 47.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.424 1.078 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.002 ' HG ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -76.56 -142.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.918 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 10.5 mm100 -54.48 87.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.599 1.187 . . . . 0.0 110.354 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -55.7 87.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 72.68 2.21 55.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.049 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.459 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.77 -176.27 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 110.418 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -139.45 122.48 16.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.637 ' CE1' ' NE2' ' A' ' 27' ' ' GLN . 2.6 m-30 -117.77 -171.08 1.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.468 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 6.0 p-10 -111.6 110.54 20.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.226 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.769 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -80.2 139.11 18.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.599 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 178.49 158.69 21.62 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.557 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -94.78 97.08 9.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 0.728 . . . . 0.0 110.412 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.757 ' SG ' HD11 ' A' ' 45' ' ' LEU . 4.5 t -106.81 155.47 19.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 108.394 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 173.54 161.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -60.58 119.03 7.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.096 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.973 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -99.62 -44.57 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.464 ' CB ' ' HB ' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -83.5 -152.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 42' ' ' THR . 8.2 t -77.92 54.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.97 -9.16 50.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.626 1.204 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 64.7 t -69.97 112.48 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.757 HD11 ' SG ' ' A' ' 37' ' ' CYS . 1.6 tm? -60.17 112.89 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.973 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -126.39 137.3 53.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.7 m -105.35 152.24 23.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 108.274 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.557 ' ND2' ' O ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -82.81 165.02 44.04 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.0 109.468 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.64 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.08 -9.43 20.66 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.499 1.789 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.49 14.83 26.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.599 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.48 8.77 23.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -105.97 93.56 4.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.943 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.55 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -146.84 84.16 1.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.934 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' SER . 84.1 p -36.28 141.94 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.11 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.635 HG11 HG23 ' A' ' 34' ' ' VAL . 9.3 p -147.91 159.74 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 124.65 1.219 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.748 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -147.4 137.1 22.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 1.042 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.45 141.14 38.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.57 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -62.33 158.96 16.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.06 -28.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.439 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.4 t-20 -88.23 35.08 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.96 38.64 2.56 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.464 1.102 . . . . 0.0 111.095 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.42 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -99.32 97.35 8.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 0.745 . . . . 0.0 110.038 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 1.042 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.67 80.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.406 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.7 p -90.54 76.73 6.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.952 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.731 HG21 HG21 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -109.57 141.51 41.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.512 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.1 p -102.39 154.03 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.666 HD13 HG11 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -158.36 166.82 31.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.648 1.218 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.802 HG23 HG22 ' A' ' 18' ' ' VAL . 25.9 m -106.3 138.44 42.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 17' ' ' THR . 19.3 t -88.46 83.19 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.398 1.061 . . . . 0.0 109.378 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 72' ' ' SER . 29.2 mtt180 -88.96 66.75 7.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.455 ' NH2' ' HB3' ' A' ' 13' ' ' LEU . 16.3 ttm180 -35.94 -32.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 77.5 p -89.2 107.42 19.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.606 ' CZ ' ' HB2' ' A' ' 88' ' ' CYS . 0.2 OUTLIER -157.33 165.23 36.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.612 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 29.9 tt0 -96.46 87.53 4.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.73 160.96 1.36 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.583 1.177 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.612 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 61.0 m-85 -140.83 115.65 9.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 83' ' ' TRP . 14.1 mt -57.64 135.64 56.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.394 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -56.62 -30.15 62.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.18 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -50.95 -22.64 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.199 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.84 -16.15 12.32 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.496 1.123 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 42.1 m -88.83 133.39 34.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 0.825 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.574 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -77.77 138.81 39.21 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.503 1.127 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.675 ' CD1' HG13 ' A' ' 40' ' ' VAL . 54.5 t-105 -105.73 -87.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 108.013 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.604 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 140.66 -104.63 0.4 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.557 1.161 . . . . 0.0 111.03 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.604 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 7.6 m 89.93 -52.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 110.437 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 72' ' ' SER . 92.9 t 69.64 -104.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.529 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -58.76 90.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.386 1.054 . . . . 0.0 109.265 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.606 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 8.8 t -71.25 60.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' ASP . 12.6 t -99.49 -19.48 16.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.346 1.029 . . . . 0.0 110.405 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.7 m -88.99 -55.35 3.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.504 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.423 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.17 154.49 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.643 1.214 . . . . 0.0 109.246 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.73 123.0 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 124.2 35.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 108.312 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.51 ' H ' ' HB2' ' A' ' 38' ' ' ALA . 25.5 mt-30 -100.26 117.44 34.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.513 HG22 ' HG2' ' A' ' 36' ' ' GLN . 20.5 t -89.14 110.21 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.617 1.198 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -160.58 171.33 36.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.002 HD11 ' HG ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -106.4 133.53 50.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.354 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.97 158.73 15.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -79.59 160.48 26.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.77 11.57 12.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.78 -59.11 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.401 1.063 . . . . 0.0 109.25 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.43 48.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.574 1.171 . . . . 0.0 111.036 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -149.51 157.53 43.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 0.793 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.43 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -140.81 62.62 0.54 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.0 Cg_endo -75.06 -16.8 19.88 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.55 ' HG2' HD21 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -89.06 140.93 28.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.584 1.177 . . . . 0.0 110.245 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.4 ' C ' ' HB3' ' A' ' 94' ' ' GLN . . . 151.87 118.36 0.78 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 108' ' ' VAL . 0.8 OUTLIER -105.39 119.63 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.37 93.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.559 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -97.89 149.22 5.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . 1.027 ' O ' HD23 ' A' ' 13' ' ' LEU . 1.1 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.493 ' O ' HG23 ' A' ' 6' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.927 0 N-CA-C 111.075 -0.394 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.782 ' HB ' HD22 ' A' ' 26' ' ' LEU . 2.5 p 42.36 -152.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.396 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.418 ' H ' ' CD2' ' A' ' 26' ' ' LEU . . . -73.16 115.49 12.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.363 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -139.38 147.86 42.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.362 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.746 HG13 ' HD2' ' A' ' 9' ' ' PRO . 2.0 t -83.34 129.23 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.414 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.751 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -37.22 -69.16 0.2 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.343 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.949 ' CG ' HG11 ' A' ' 19' ' ' VAL . 18.6 Cg_endo -74.94 -161.55 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.464 1.77 . . . . 0.0 111.095 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -136.43 -49.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 111' ' ' SER . 89.0 p -64.05 76.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.615 1.197 . . . . 0.0 109.925 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' SER . . . -64.09 -8.3 28.89 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.563 HD12 ' O ' ' A' ' 111' ' ' SER . 0.7 OUTLIER -70.14 56.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 0.707 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.519 ' HB3' ' CB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -132.32 115.67 15.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' SER . 20.5 p-10 -36.13 96.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.379 1.049 . . . . 0.0 109.199 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 47.09 68.6 1.1 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.59 1.181 . . . . 0.0 110.979 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.519 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -77.26 125.11 28.81 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.351 0.677 . . . . 0.0 110.354 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.525 HG22 HG23 ' A' ' 68' ' ' THR . 1.7 t -96.25 115.49 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.949 HG11 ' CG ' ' A' ' 9' ' ' PRO . 1.7 m -137.8 -172.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -110.64 135.57 51.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 6' ' ' THR . 83.6 t -112.47 101.95 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -88.17 125.19 34.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.517 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -112.24 81.12 0.28 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.371 1.044 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.7 124.78 32.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.374 0.69 . . . . 0.0 109.296 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 82.63 18.4 66.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.572 1.17 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.782 HD22 ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -88.24 -146.84 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 0.742 . . . . 0.0 109.336 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.971 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -68.25 84.47 0.25 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.405 1.066 . . . . 0.0 110.286 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.613 ' HB1' ' O ' ' A' ' 59' ' ' ALA . . . -67.44 98.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.01 -16.4 59.46 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.42 1.075 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.565 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -92.09 -178.84 5.1 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.573 0.807 . . . . 0.0 110.437 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.946 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -157.15 156.45 32.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.677 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -152.35 -165.22 2.15 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.566 1.166 . . . . 0.0 111.034 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -104.77 112.21 25.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.557 HG21 HG21 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -78.74 136.74 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.647 1.217 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.632 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 179.3 154.94 13.81 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.648 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.26 101.0 12.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 0.727 . . . . 0.0 110.389 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 4.7 t -107.03 155.12 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 177.13 163.65 0.5 Allowed 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.59 1.181 . . . . 0.0 109.233 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.514 ' CD1' ' O ' ' A' ' 39' ' ' TRP . 28.6 p90 -63.57 109.65 1.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 108.012 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.955 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -99.87 -34.25 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.229 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.568 ' OD1' ' CD2' ' A' ' 83' ' ' TRP . 1.7 t70 -89.47 -155.15 0.34 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.748 ' O ' HG23 ' A' ' 42' ' ' THR . 6.3 t -80.7 53.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.358 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.76 4.13 42.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.39 1.057 . . . . 0.0 111.092 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.462 HG23 ' HB3' ' A' ' 41' ' ' ASP . 5.8 t -89.35 116.62 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.405 0.709 . . . . 0.0 109.437 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.6 100.02 0.25 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.499 1.124 . . . . 0.0 109.232 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.955 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -109.82 137.94 46.9 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.9 m -101.88 153.16 20.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 108.332 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.632 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -81.23 169.91 17.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.234 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.596 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.0 Cg_endo -74.92 -11.46 21.64 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.417 1.746 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.48 17.56 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.632 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -87.43 5.14 40.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.398 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.596 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -107.48 93.11 4.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.153 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.526 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -150.12 84.88 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' SER . 23.8 p -38.21 133.67 0.91 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.622 1.202 . . . . 0.0 109.937 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.744 HG13 HG21 ' A' ' 65' ' ' THR . 2.5 t -140.59 159.38 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.375 1.047 . . . . 0.0 109.284 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.946 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -145.13 148.22 33.37 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.43 1.081 . . . . 0.0 110.394 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.971 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -107.44 138.04 44.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -65.05 155.13 35.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.645 1.216 . . . . 0.0 109.333 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.613 ' O ' ' HB1' ' A' ' 28' ' ' ALA . . . -42.56 -27.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.395 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.3 t-20 -88.17 32.82 0.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.383 1.052 . . . . 0.0 109.203 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.36 43.74 3.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.591 1.182 . . . . 0.0 111.037 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 58.0 m -119.0 105.19 11.19 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.482 0.754 . . . . 0.0 109.983 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.608 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.43 85.58 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.2 m -93.72 75.09 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.042 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.744 HG21 HG13 ' A' ' 55' ' ' VAL . 68.5 p -110.45 136.71 49.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.352 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.609 ' O ' HD22 ' A' ' 67' ' ' LEU . 80.2 p -90.83 139.75 30.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.382 1.051 . . . . 0.0 110.026 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -142.67 166.97 23.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.159 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.525 HG23 HG22 ' A' ' 18' ' ' VAL . 87.3 m -106.22 132.55 52.15 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.554 1.159 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.494 ' CG2' HG22 ' A' ' 17' ' ' THR . 45.5 t -89.44 85.18 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.569 1.168 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.697 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 9.6 mtt180 -86.61 60.78 6.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 39.0 ttp180 -36.36 -32.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.642 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 96.7 p -102.17 125.37 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.194 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.697 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 178.9 177.54 0.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.341 1.025 . . . . 0.0 110.897 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.434 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -93.09 105.87 17.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.383 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.77 167.17 38.49 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.548 1.155 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.541 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -142.16 117.24 10.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 0.798 . . . . 0.0 111.004 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 41' ' ' ASP . 24.7 mt -58.72 131.0 49.58 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.5 -28.28 8.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -50.37 -53.17 31.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.5 -20.6 0.72 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.5 m -89.27 145.51 25.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.454 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 17.5 mtm-85 -83.3 140.52 32.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.235 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.568 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 77.1 t-105 -105.82 -91.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 107.91 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 155.13 -101.3 0.2 Allowed Glycine 0 CA--C 1.532 1.133 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.652 ' OG1' HG22 ' A' ' 40' ' ' VAL . 17.0 m 88.43 -52.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 0.816 . . . . 0.0 110.442 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.642 ' O ' ' HA ' ' A' ' 72' ' ' SER . 99.4 t 67.9 -107.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.624 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -62.49 102.57 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.234 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 42.3 t -82.56 53.31 2.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.544 1.153 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.9 t -96.03 -22.68 17.21 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.509 1.13 . . . . 0.0 110.384 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 m -89.28 -54.17 4.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.406 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -85.72 140.18 30.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.426 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -80.21 119.15 22.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.43 1.081 . . . . 0.0 109.191 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.89 124.55 35.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 108.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.51 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 75.8 mt-30 -98.69 113.59 25.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.648 HG22 ' HG2' ' A' ' 36' ' ' GLN . 6.4 t -87.8 106.44 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -155.08 179.8 30.83 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.455 1.097 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.832 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -106.1 143.96 33.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.767 . . . . 0.0 109.194 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' ' 32' ' ' TYR . 1.4 p -87.7 138.01 31.84 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.515 1.135 . . . . 0.0 109.957 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.98 159.67 30.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.216 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.99 6.73 27.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.603 1.189 . . . . 0.0 109.294 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.38 -32.1 15.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.392 1.057 . . . . 0.0 109.321 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 118.35 39.24 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.418 1.073 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -149.59 154.69 39.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.677 0.869 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.411 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -132.87 63.09 0.63 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.418 1.074 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.2 Cg_endo -75.09 -22.55 14.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.958 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.409 ' HB3' HD22 ' A' ' 97' ' ' LEU . 1.6 tm-20 -84.59 142.65 29.81 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.525 1.141 . . . . 0.0 110.256 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 145.62 136.42 2.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.609 1.193 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -105.5 122.15 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.368 0.687 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.67 94.28 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.492 1.12 . . . . 0.0 109.197 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.578 ' O ' ' CB ' ' A' ' 111' ' ' SER . 2.7 tp -91.01 156.39 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.578 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.486 ' C ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 N-CA-C 110.95 -0.442 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.502 ' HB ' HD22 ' A' ' 26' ' ' LEU . 1.1 p 54.61 -159.63 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 110.353 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.733 ' H ' HD23 ' A' ' 26' ' ' LEU . . . -60.67 128.94 39.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 109.368 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.2 p -150.39 146.27 26.6 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.517 1.135 . . . . 0.0 110.476 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.675 ' H ' HG11 ' A' ' 108' ' ' VAL . 3.0 t -74.5 123.08 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.728 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -32.52 -68.82 0.14 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.355 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.837 ' CG ' HG11 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.05 -159.56 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.584 1.834 . . . . 0.0 111.038 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 111' ' ' SER . 27.7 m -136.93 -49.04 0.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 110.028 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.426 ' HA ' ' HB3' ' A' ' 111' ' ' SER . 43.5 p -70.77 57.74 0.2 Allowed 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.425 1.078 . . . . 0.0 109.991 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.67 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -57.22 -13.62 10.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.373 1.046 . . . . 0.0 111.013 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.797 HD23 ' O ' ' A' ' 111' ' ' SER . 0.5 OUTLIER -54.77 74.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.805 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.67 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -151.06 123.69 8.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.142 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 14' ' ' SER . 20.1 p-10 -36.45 93.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 52.69 67.25 2.18 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.486 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.5 OUTLIER -74.53 128.99 36.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 110.497 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.69 118.38 38.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.226 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.837 HG11 ' CG ' ' A' ' 9' ' ' PRO . 1.4 m -142.7 -176.62 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -118.33 127.87 54.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.597 1.185 . . . . 0.0 109.243 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.506 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.7 t -99.0 96.85 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.216 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.13 135.23 33.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.477 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -117.53 120.23 4.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.36 96.73 7.14 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.501 0.765 . . . . 0.0 109.357 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.25 21.05 12.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.733 HD23 ' H ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -82.49 -141.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 0.722 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.988 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 18.9 mm-40 -51.65 89.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.75 84.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 78.12 4.69 86.61 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.511 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.2 -175.11 4.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.534 0.785 . . . . 0.0 110.408 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.757 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -139.07 114.36 9.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.661 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.3 m-30 -117.75 165.37 13.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 33.0 m-20 -91.3 127.59 36.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.684 1.24 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.052 HG23 ' HB3' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -100.44 137.32 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.623 1.202 . . . . 0.0 109.316 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.566 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 172.99 125.26 0.82 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.388 1.055 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.674 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -56.0 99.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.506 0.768 . . . . 0.0 110.213 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 3.4 t -106.67 157.86 17.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.598 1.186 . . . . 0.0 108.345 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.584 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . 178.97 166.2 0.92 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 109.384 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.51 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 40.2 p90 -72.38 111.66 7.77 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.876 HG22 ' OG1' ' A' ' 85' ' ' THR . 0.7 OUTLIER -98.16 -46.74 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.603 ' OD2' ' CH2' ' A' ' 83' ' ' TRP . 2.4 t0 -85.14 -160.72 0.52 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -67.05 80.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.62 1.2 . . . . 0.0 110.365 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.78 21.35 71.13 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 78' ' ' PHE . 15.0 t -97.67 111.0 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.06 96.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.524 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -107.89 139.9 41.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.384 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.403 ' HB3' ' CG ' ' A' ' 51' ' ' ASP . 57.0 m -97.43 155.41 16.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 108.413 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.529 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 1.3 m-80 -79.68 168.2 28.17 Favored Pre-proline 0 C--N 1.323 -0.564 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.652 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -74.99 -16.73 20.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.32 15.15 26.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.571 1.17 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.647 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.75 17.09 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.389 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.652 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -105.17 87.06 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.598 1.186 . . . . 0.0 110.912 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.437 ' HB3' HG12 ' A' ' 34' ' ' VAL . 1.1 t -148.02 84.36 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -57.61 146.9 28.86 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.523 1.139 . . . . 0.0 109.951 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.816 HG21 ' HB ' ' A' ' 65' ' ' THR . 7.4 p -159.39 151.91 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.757 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -121.02 149.69 42.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.493 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 1.039 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.06 145.57 31.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.266 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.577 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -69.62 159.21 33.83 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.415 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.9 -28.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.448 1.092 . . . . 0.0 109.239 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.436 ' N ' ' C ' ' A' ' 58' ' ' ASP . 21.5 t30 -88.7 34.58 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.385 1.053 . . . . 0.0 109.268 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.72 40.65 4.02 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.505 1.128 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.7 OUTLIER -101.94 96.5 7.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 0.773 . . . . 0.0 109.985 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 1.039 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -104.03 97.75 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.9 m -101.72 93.95 5.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.889 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.921 HG21 HG21 ' A' ' 34' ' ' VAL . 7.4 t -106.05 162.36 13.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.3 p -137.9 121.77 17.68 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.577 1.173 . . . . 0.0 109.955 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.82 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -151.23 176.44 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.631 1.207 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.82 ' H ' HD13 ' A' ' 67' ' ' LEU . 6.2 t -105.24 137.28 43.27 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.431 1.082 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.81 HG11 HG12 ' A' ' 110' ' ' ILE . 39.4 t -89.22 84.71 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.463 ' HG2' HG23 ' A' ' 68' ' ' THR . 14.1 mmt180 -90.14 71.47 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.421 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -43.4 -35.43 1.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 88.6 p -94.96 122.6 37.78 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.341 1.026 . . . . 0.0 109.985 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.56 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 169.88 167.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 110.942 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.523 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 7.6 tt0 -80.68 113.45 18.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.223 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.83 173.59 54.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CE1' ' OE1' ' A' ' 74' ' ' GLU . 7.4 m-85 -135.53 119.06 16.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.771 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.468 HD12 ' HB ' ' A' ' 81' ' ' THR . 59.4 mt -42.85 164.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.335 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' A' ' 79' ' ' ASP . 1.0 OUTLIER -75.61 -31.96 60.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.567 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 7.3 t0 -61.4 -56.57 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.49 -27.04 0.22 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 111.03 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.468 ' HB ' HD12 ' A' ' 77' ' ' LEU . 4.3 m -69.01 136.67 52.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 0.728 . . . . 0.0 110.459 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 27.2 ptt180 -75.57 137.14 40.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.639 ' CD1' HG13 ' A' ' 40' ' ' VAL . 76.9 t-105 -101.7 -88.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.558 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 141.12 -89.38 0.18 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.442 1.089 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.876 ' OG1' HG22 ' A' ' 40' ' ' VAL . 3.2 m 70.5 -56.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.429 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.545 ' HB ' ' O ' ' A' ' 85' ' ' THR . 24.4 t 80.86 -101.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.214 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.95 99.4 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 9.9 t -82.89 61.63 6.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.389 1.056 . . . . 0.0 108.321 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.2 m -102.04 -13.01 17.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.366 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 m -88.06 -57.66 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -90.34 130.34 36.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.586 1.179 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.87 117.61 8.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.584 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -91.04 123.21 34.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 37' ' ' CYS . 13.7 pt20 -106.07 126.6 52.39 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 110.409 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.849 ' O ' HG12 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -96.99 124.15 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.229 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -173.13 178.48 45.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.052 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.24 121.59 44.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.363 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.7 p -103.69 164.86 11.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.041 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.605 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -62.28 162.18 10.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.5 -1.06 57.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.77 -24.63 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.426 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.28 41.93 1.7 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 10.8 m120 -150.81 165.97 31.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 0.729 . . . . 0.0 109.22 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 106' ' ' GLU . . . 106.2 91.15 2.2 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.396 1.06 . . . . 0.0 111.083 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 45.27 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.406 ' H ' ' C ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER -91.84 130.26 37.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.391 1.057 . . . . 0.0 110.332 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.435 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . 178.03 154.58 12.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.12 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.849 HG12 ' O ' ' A' ' 95' ' ' VAL . 13.9 p -106.26 119.06 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.73 93.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.81 HG12 HG11 ' A' ' 69' ' ' VAL . 10.7 tp -69.86 136.3 26.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.226 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.797 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.895 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 4' ' ' THR . 18.6 Cg_endo . . . . . 0 N--CA 1.452 -0.96 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.507 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.3 p 46.74 -174.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.864 ' H ' HD23 ' A' ' 26' ' ' LEU . . . -52.11 114.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.385 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.545 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -146.97 138.06 23.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.456 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.009 HG23 HG22 ' A' ' 21' ' ' VAL . 9.1 p -109.68 110.35 31.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.702 HG22 ' CB ' ' A' ' 11' ' ' SER . 0.5 OUTLIER 48.87 167.77 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.455 1.097 . . . . 0.0 110.47 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.508 ' HD2' ' OG1' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.01 -44.57 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.389 1.731 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 11' ' ' SER . 14.4 p -94.34 -75.16 0.52 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.117 . . . . 0.0 109.849 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.877 ' OG ' HG21 ' A' ' 69' ' ' VAL . 0.6 OUTLIER 57.59 152.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 110.006 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.477 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . 82.12 -40.4 2.68 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.445 1.091 . . . . 0.0 111.067 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 13' ' ' LEU . 10.4 mt -35.17 -36.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.454 0.738 . . . . 0.0 109.286 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -126.38 123.32 37.69 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.552 1.157 . . . . 0.0 109.993 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.84 71.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.233 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 138.34 35.86 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.435 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 5.9 m -85.53 110.68 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 110.488 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.9 t -75.47 121.42 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.672 HG11 ' CB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -146.53 -170.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -114.25 136.39 53.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 109.372 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.009 HG22 HG23 ' A' ' 7' ' ' VAL . 2.3 t -108.47 79.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.96 135.95 33.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.574 1.172 . . . . 0.0 109.303 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.507 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -134.41 97.7 0.3 Allowed Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.01 125.15 47.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.612 0.83 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.09 18.26 29.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 111.055 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.864 HD23 ' H ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -90.49 -142.23 0.16 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.403 0.708 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.709 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -73.03 82.27 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' A' ' 59' ' ' ALA . . . -65.91 117.36 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.49 -20.34 47.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.441 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.31 179.56 5.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.767 . . . . 0.0 110.338 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.516 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -145.31 153.36 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.854 ' OH ' ' HB2' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -150.03 -169.01 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.986 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -124.5 119.63 29.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.699 HG12 ' CB ' ' A' ' 53' ' ' SER . 1.0 OUTLIER -73.49 121.83 25.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' CA ' ' OD1' ' A' ' 51' ' ' ASP . . . -163.75 119.13 0.85 Allowed Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.418 1.074 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.908 ' HG2' HG22 ' A' ' 95' ' ' VAL . 8.2 mt-30 -54.18 87.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 110.189 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.647 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -94.2 145.04 24.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.575 1.172 . . . . 0.0 108.184 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 166.73 165.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.533 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 15.4 m0 -64.47 89.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.616 1.198 . . . . 0.0 107.996 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.52 ' CG1' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -85.94 -39.68 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.577 ' HB2' HD21 ' A' ' 77' ' ' LEU . 7.6 t0 -88.68 -154.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 42' ' ' THR . 3.1 m -76.6 73.29 3.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.629 1.205 . . . . 0.0 110.437 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.2 21.3 76.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.434 1.084 . . . . 0.0 111.018 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.75 ' CG1' HD22 ' A' ' 77' ' ' LEU . 3.2 t -104.9 110.57 31.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.524 0.779 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.676 ' O ' HD23 ' A' ' 45' ' ' LEU . 5.0 tt -65.75 83.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.382 1.051 . . . . 0.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.582 ' HB2' HD23 ' A' ' 77' ' ' LEU . . . -93.22 144.8 24.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.237 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 65.5 m -96.34 156.03 16.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.437 1.086 . . . . 0.0 108.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.489 ' ND2' ' HB2' ' A' ' 36' ' ' GLN . 7.9 m-80 -93.06 112.4 55.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.442 ' HD2' ' O ' ' A' ' 74' ' ' GLU . 18.2 Cg_endo -75.02 7.54 2.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.538 1.81 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.793 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . . . -105.24 -8.17 18.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 36' ' ' GLN . 11.8 t0 -110.4 -12.39 14.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.382 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -45.42 111.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.699 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -152.62 93.71 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 55' ' ' VAL . 5.2 p -56.56 129.19 39.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 54' ' ' SER . 2.1 t -155.47 162.74 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.233 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 1.1 t -120.35 167.12 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.854 ' HB2' ' OH ' ' A' ' 32' ' ' TYR . . . -106.13 126.53 52.33 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.362 1.038 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.671 ' O ' ' N ' ' A' ' 61' ' ' GLY . 2.5 m-20 -53.58 161.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.64 ' O ' ' HB1' ' A' ' 28' ' ' ALA . . . -37.67 -41.36 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -88.51 37.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.201 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.671 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.76 49.14 4.1 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.457 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 75.5 m -110.99 103.41 11.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.801 . . . . 0.0 109.891 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.457 ' HB2' ' OH ' ' A' ' 32' ' ' TYR . . . -107.2 102.08 11.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.369 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.0 p -100.3 84.58 2.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.582 HG23 ' HB ' ' A' ' 21' ' ' VAL . 8.0 t -109.52 115.82 30.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.573 1.171 . . . . 0.0 110.423 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.3 p -88.42 137.33 32.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.046 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.488 HD12 ' HB2' ' A' ' 53' ' ' SER . 0.7 OUTLIER -162.56 175.64 11.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.7 t -105.61 134.88 48.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.877 HG21 ' OG ' ' A' ' 11' ' ' SER . 21.7 t -89.07 86.49 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.421 1.075 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' SER . 17.3 mtt-85 -90.61 69.89 6.74 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.517 1.136 . . . . 0.0 110.23 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 1.3 ttm180 -38.72 -29.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 53.8 m -98.35 110.78 23.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.322 1.014 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.793 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -177.58 163.36 1.92 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.592 1.182 . . . . 0.0 111.023 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.532 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 5.0 tt0 -75.31 125.7 29.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.57 171.35 33.31 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -135.98 117.41 14.73 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.533 0.784 . . . . 0.0 111.064 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.75 HD22 ' CG1' ' A' ' 44' ' ' VAL . 36.0 mt -58.05 133.59 55.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -50.34 -30.33 11.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.17 -51.38 32.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.12 -18.17 1.19 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -89.32 145.22 25.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 110.414 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -83.77 138.24 33.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.558 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 24.7 t-105 -105.46 -89.36 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.123 . . . . 0.0 107.995 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.541 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 147.65 -97.53 0.18 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.462 1.102 . . . . 0.0 110.989 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.541 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 32.7 m 80.27 -53.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 0.804 . . . . 0.0 110.433 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.535 ' O ' ' HA ' ' A' ' 72' ' ' SER . 61.9 t 70.87 -104.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.445 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -59.26 94.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 25.1 t -85.31 50.23 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 108.217 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.7 t -90.57 -17.93 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 91' ' ' ALA . 9.1 t -87.95 -50.64 6.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.355 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.455 ' N ' HG23 ' A' ' 90' ' ' THR . . . -90.58 144.5 25.71 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.424 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -79.87 114.07 18.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.374 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.93 122.5 32.36 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.625 1.203 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 23.7 mt-30 -97.89 113.26 25.03 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.908 HG22 ' HG2' ' A' ' 36' ' ' GLN . 2.0 t -90.53 120.07 38.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.62 1.2 . . . . 0.0 109.377 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.482 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -172.34 173.48 45.31 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.708 ' CB ' ' CD1' ' A' ' 32' ' ' TYR . 2.7 mp -104.86 125.73 51.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 0.723 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 32' ' ' TYR . 9.1 p -105.2 155.43 19.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -58.96 162.12 4.45 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.83 2.16 35.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.634 1.209 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.87 -10.04 38.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.61 40.89 9.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -149.48 157.06 42.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.411 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.13 107.0 3.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 0.0 111.07 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 54.64 3.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.619 ' HG2' HD11 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -90.44 115.22 27.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 110.282 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.91 138.16 2.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.568 1.167 . . . . 0.0 111.054 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.867 HG13 HD13 ' A' ' 110' ' ' ILE . 6.5 p -105.6 128.85 59.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.228 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.01 92.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.867 HD13 HG13 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -86.34 170.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.95 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.611 ' C ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 111.068 -0.397 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.611 HG23 ' C ' ' A' ' 3' ' ' PRO . 0.6 OUTLIER 58.61 172.1 0.06 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.803 ' HB1' ' CG1' ' A' ' 21' ' ' VAL . . . -50.24 121.19 5.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.664 HG22 HG23 ' A' ' 108' ' ' VAL . 1.1 p -144.44 147.89 33.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.892 HG22 HG21 ' A' ' 19' ' ' VAL . 3.3 t -75.76 106.77 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.618 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.89 -63.0 0.44 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.94 -160.19 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.608 1.846 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 11' ' ' SER . 40.6 m -90.6 -53.11 4.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.574 1.172 . . . . 0.0 109.852 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.611 ' HB2' HG11 ' A' ' 69' ' ' VAL . 4.8 p 50.95 174.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.601 1.188 . . . . 0.0 110.064 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.439 ' HA3' ' C ' ' A' ' 111' ' ' SER . . . 100.81 -53.32 0.89 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.569 HD12 ' O ' ' A' ' 111' ' ' SER . 1.6 mp -73.59 -8.95 58.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 0.793 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.51 ' CB ' ' OG1' ' A' ' 17' ' ' THR . 47.4 t -128.96 89.4 2.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.74 107.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.69 19.05 5.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.431 1.082 . . . . 0.0 111.056 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.51 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 29.1 m -90.12 118.69 29.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 0.799 . . . . 0.0 110.514 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -76.37 119.87 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.892 HG21 HG22 ' A' ' 7' ' ' VAL . 1.0 OUTLIER -127.13 174.46 10.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -113.53 114.65 26.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.803 ' CG1' ' HB1' ' A' ' 5' ' ' ALA . 19.6 t -88.28 90.66 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.91 127.04 44.73 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.506 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -131.77 106.14 0.65 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.03 108.7 19.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 83.06 37.88 12.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.156 . . . . 0.0 111.063 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.729 ' CD1' HD11 ' A' ' 97' ' ' LEU . 0.8 OUTLIER -75.37 -92.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.779 . . . . 0.0 109.371 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.592 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 17.7 mm100 -91.79 19.1 6.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.199 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 76.25 -11.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.37 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.721 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 126.32 2.04 7.09 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.612 HG22 ' H ' ' A' ' 31' ' ' ALA . 2.7 m -57.92 -155.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.529 0.782 . . . . 0.0 110.48 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.612 ' H ' HG22 ' A' ' 30' ' ' THR . . . -134.21 111.76 10.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.582 ' CD1' ' HG3' ' A' ' 27' ' ' GLN . 2.6 m-85 -123.28 168.31 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -91.13 115.84 28.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.24 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.804 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -79.4 141.73 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.411 1.069 . . . . 0.0 109.403 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.626 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 168.82 155.88 10.05 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.45 1.094 . . . . 0.0 110.954 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.739 ' HG2' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.29 98.28 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 0.801 . . . . 0.0 110.342 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 94' ' ' GLN . 7.3 t -106.74 154.75 20.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 108.236 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.541 ' HB2' ' H ' ' A' ' 94' ' ' GLN . . . -178.24 168.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.603 1.189 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.558 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 68.9 p-90 -75.44 104.63 6.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 107.921 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.675 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -93.64 -49.41 12.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.429 1.081 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.507 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -86.22 -173.9 4.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.374 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.2 m -52.41 88.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.421 1.076 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 55.65 21.75 29.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.582 HG11 HD13 ' A' ' 77' ' ' LEU . 59.4 t -97.12 117.72 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.397 0.704 . . . . 0.0 109.3 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.99 99.37 1.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.546 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -111.68 138.39 48.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.533 1.146 . . . . 0.0 109.374 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.7 m -105.38 152.22 23.23 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.609 1.193 . . . . 0.0 108.322 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.69 ' ND2' ' CE2' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -77.95 170.87 14.26 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.643 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.06 -11.73 21.38 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.552 1.817 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.36 16.66 23.71 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.626 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.7 t70 -89.18 6.84 38.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.453 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.643 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -107.71 93.67 4.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.999 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.674 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -150.5 78.69 1.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.065 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 97.5 p -44.58 139.33 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.88 HG21 ' HB ' ' A' ' 65' ' ' THR . 2.7 p -160.18 164.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.422 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.588 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -135.56 154.51 51.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.375 1.047 . . . . 0.0 110.381 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.786 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -100.16 144.93 28.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.613 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -58.11 160.92 4.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.333 1.02 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.49 -36.84 0.41 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -87.81 37.12 0.78 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.613 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.7 40.92 4.12 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.428 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 7.7 m -103.96 96.4 6.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.786 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -100.0 95.7 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -106.87 76.63 1.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.377 1.048 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.88 ' HB ' HG21 ' A' ' 55' ' ' VAL . 7.0 t -107.86 132.42 53.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.599 ' O ' HD22 ' A' ' 67' ' ' LEU . 83.7 p -93.71 133.69 36.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.599 HD22 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -143.09 164.27 30.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 t -89.41 125.49 35.17 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.456 1.097 . . . . 0.0 110.444 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.92 HG13 HD11 ' A' ' 110' ' ' ILE . 2.7 t -88.93 92.04 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.702 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 2.0 mtt180 -107.42 80.56 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.456 ' NH1' ' OD2' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -41.94 -40.94 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.334 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -81.48 142.92 32.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 0.0 110.036 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.702 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER 163.33 -179.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -94.3 103.72 15.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.57 153.0 52.78 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.488 1.117 . . . . 0.0 111.126 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -139.03 124.13 18.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 0.768 . . . . 0.0 110.963 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.749 HD21 ' HB2' ' A' ' 83' ' ' TRP . 7.9 mt -62.76 153.86 31.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -82.66 -25.67 32.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -59.89 -48.47 81.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.394 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.08 -27.54 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 1.1 m -80.18 164.56 23.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.638 0.846 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -116.94 147.88 41.87 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.351 1.032 . . . . 0.0 110.369 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.749 ' HB2' HD21 ' A' ' 77' ' ' LEU . 49.2 t-105 -104.55 -86.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.086 . . . . 0.0 108.105 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.496 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 127.38 -79.27 0.37 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.604 1.19 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.992 ' O ' HG22 ' A' ' 86' ' ' VAL . 3.3 m 68.54 -57.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.388 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.992 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 83.84 -23.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.746 ' H ' HG22 ' A' ' 85' ' ' THR . 0.4 OUTLIER -143.63 104.62 4.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.178 . . . . 0.0 109.315 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 4.1 t -90.64 64.99 5.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 108.392 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.446 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -105.39 -12.68 15.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.413 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.0 m -88.83 -60.02 2.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.434 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.558 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -91.03 104.33 16.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -39.72 126.14 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.621 1.2 . . . . 0.0 109.334 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -89.73 126.94 35.85 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.575 1.172 . . . . 0.0 108.359 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.541 ' H ' ' HB2' ' A' ' 38' ' ' ALA . 23.9 mt-30 -92.38 110.62 22.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.363 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.739 HG13 ' HG2' ' A' ' 36' ' ' GLN . 2.5 t -88.61 108.1 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.475 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -167.82 178.25 41.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.427 1.079 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.928 ' O ' HD12 ' A' ' 97' ' ' LEU . 1.6 pp -107.31 128.14 54.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 0.707 . . . . 0.0 109.17 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.566 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 26.0 t -93.22 168.87 10.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 0.0 109.933 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -85.26 158.13 20.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.404 1.065 . . . . 0.0 109.4 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.77 9.23 25.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.3 -49.69 3.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 123.04 50.23 0.22 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 105' ' ' PRO . 74.4 m-20 -111.08 146.62 36.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.584 0.814 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -31.89 93.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.489 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.3 Cg_endo -74.98 127.42 10.68 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 124.61 1.847 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.69 144.64 25.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.381 1.051 . . . . 0.0 110.247 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -143.77 169.88 25.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.618 1.199 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.664 HG23 HG22 ' A' ' 6' ' ' THR . 5.3 p -99.22 143.95 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.595 0.82 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.03 99.33 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.92 HD11 HG13 ' A' ' 69' ' ' VAL . 1.7 tt -66.68 136.09 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.569 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.386 1.054 . . . . 0.0 110.096 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.47 ' C ' HG23 ' A' ' 4' ' ' THR . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.47 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.3 p 55.35 -178.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.809 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -59.04 119.6 7.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.379 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.569 HG22 HG23 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -140.47 147.59 39.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.628 1.205 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.786 ' H ' HG21 ' A' ' 108' ' ' VAL . 5.1 t -74.77 108.21 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.581 1.176 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.621 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -38.93 -62.73 0.7 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.449 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.621 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.98 -156.65 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.602 1.843 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.4 m -92.4 -46.33 7.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 0.0 109.988 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.574 ' HB3' HG11 ' A' ' 7' ' ' VAL . 6.6 p 57.09 -179.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.011 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.63 -48.7 2.96 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -18.68 63.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 109.386 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -124.26 98.83 5.94 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.552 1.157 . . . . 0.0 110.115 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -61.3 79.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.51 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 127.24 36.58 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.445 ' CG2' ' CG1' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -92.29 131.72 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 0.729 . . . . 0.0 110.448 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -82.8 117.97 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.552 HG21 HG13 ' A' ' 7' ' ' VAL . 1.2 m -132.79 174.4 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 0.0 109.244 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -116.75 125.55 51.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.586 1.179 . . . . 0.0 109.175 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.809 HG12 ' HB1' ' A' ' 5' ' ' ALA . 59.5 t -97.3 84.9 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.444 1.09 . . . . 0.0 109.157 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.31 127.01 41.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.457 ' HA3' ' N ' ' A' ' 5' ' ' ALA . . . -135.05 121.7 2.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.447 1.092 . . . . 0.0 111.069 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 61' ' ' GLY . . . -106.08 121.2 43.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.266 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 101.93 0.82 51.92 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.394 1.059 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.708 HD22 ' H ' ' A' ' 5' ' ' ALA . 6.2 tp -76.2 -136.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.385 0.697 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.942 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 38.5 mm-40 -55.18 86.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.098 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.25 93.29 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' ALA . . . 67.8 7.02 47.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.435 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.9 -176.54 4.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 0.725 . . . . 0.0 110.434 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.715 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -139.25 119.47 13.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.662 1.226 . . . . 0.0 109.15 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.666 ' HB2' HD12 ' A' ' 97' ' ' LEU . 2.3 m-30 -118.55 175.99 5.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.554 1.159 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 75.7 m-20 -98.31 113.1 24.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.929 HG21 HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -82.02 137.56 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.568 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 172.63 156.38 12.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.427 1.079 . . . . 0.0 110.969 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.746 ' HG2' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.8 102.14 14.27 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.491 0.759 . . . . 0.0 110.395 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.491 ' SG ' HD23 ' A' ' 45' ' ' LEU . 3.5 t -106.69 148.89 27.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 108.286 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -178.93 167.84 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.473 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 15.1 p-90 -68.87 111.29 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 108.028 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.987 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -95.61 -45.75 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.598 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 1.4 t0 -92.29 -155.36 0.42 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.716 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.6 t -77.55 98.86 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.0 21.51 31.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 42' ' ' THR . 45.3 t -105.97 115.62 48.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.541 0.789 . . . . 0.0 109.432 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.491 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -69.95 104.12 2.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.987 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -112.52 135.69 52.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 59.0 m -96.73 155.58 16.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.789 ' ND2' ' CE2' ' A' ' 73' ' ' PHE . 11.7 m-20 -80.31 160.43 67.89 Favored Pre-proline 0 C--N 1.323 -0.587 0 O-C-N 124.499 1.124 . . . . 0.0 109.377 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.611 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.93 -13.36 21.59 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.55 1.816 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.42 14.02 26.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.568 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -88.19 13.21 11.86 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 109.367 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.611 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 4.1 m-85 -105.51 88.74 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.72 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -148.95 83.67 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.393 1.058 . . . . 0.0 110.041 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.7 p -50.9 136.56 22.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.695 HG11 ' CB ' ' A' ' 65' ' ' THR . 25.4 m -142.13 168.55 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.394 1.059 . . . . 0.0 109.236 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.715 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -139.76 141.25 36.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 1.061 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -105.94 131.03 53.74 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -48.25 158.76 0.24 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.592 1.182 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.98 -29.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 58' ' ' ASP . 50.7 t30 -88.64 34.37 0.76 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.553 1.158 . . . . 0.0 109.227 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.96 42.5 6.52 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.56 1.162 . . . . 0.0 110.955 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -104.34 96.8 6.87 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 0.781 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 1.061 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.27 99.71 9.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 p -106.75 81.15 1.53 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.573 1.17 . . . . 0.0 110.101 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.929 HG21 HG21 ' A' ' 34' ' ' VAL . 3.9 t -107.49 121.04 43.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.464 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.514 ' O ' HD22 ' A' ' 67' ' ' LEU . 53.8 p -94.65 134.58 37.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.514 HD22 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -149.36 179.19 8.13 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.4 t -103.82 128.87 51.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.779 ' CG1' HD11 ' A' ' 110' ' ' ILE . 66.0 t -88.54 89.95 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.384 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.645 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 3.1 mtt85 -94.42 73.77 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 21.3 ttp180 -34.22 -37.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 1.4 p -90.27 124.13 34.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.191 . . . . 0.0 109.968 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.789 ' CE2' ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -171.47 168.28 6.5 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.486 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 23.3 tt0 -93.15 94.74 8.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.172 . . . . 0.0 110.245 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.558 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -61.58 158.26 32.42 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 3.5 m-85 -133.73 121.98 22.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.391 0.7 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.792 HD21 ' HB2' ' A' ' 83' ' ' TRP . 12.9 mt -51.74 146.65 7.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -67.45 -30.41 70.13 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.487 1.117 . . . . 0.0 110.932 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -55.9 -55.79 28.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.54 -26.82 0.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.417 1.073 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.7 m -76.75 144.44 39.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.417 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.508 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 8.1 ptt180 -92.6 140.87 29.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.331 1.019 . . . . 0.0 110.301 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.792 ' HB2' HD21 ' A' ' 77' ' ' LEU . 43.5 t-105 -104.51 -90.53 0.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.517 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 145.89 -77.92 0.25 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.811 ' OG1' HG22 ' A' ' 40' ' ' VAL . 3.9 m 68.89 -55.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 0.703 . . . . 0.0 110.379 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 87' ' ' ASP . 90.1 t 73.03 -104.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.241 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.542 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.8 OUTLIER -56.78 92.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.335 1.022 . . . . 0.0 109.23 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.599 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 12.2 t -77.64 58.52 1.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 108.361 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.5 t -104.72 -19.82 13.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.357 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 91' ' ' ALA . 9.5 t -89.33 -55.21 3.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.53 ' N ' HG23 ' A' ' 90' ' ' THR . . . -91.27 119.14 31.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.47 120.44 9.95 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.702 ' O ' HG22 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -91.1 128.64 37.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 108.275 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.531 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 34.7 mt-30 -97.37 110.21 22.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.321 1.013 . . . . 0.0 110.297 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.811 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.1 t -88.92 106.17 16.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 O-C-N 124.58 1.175 . . . . 0.0 109.253 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -162.35 174.16 38.72 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.574 1.171 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.837 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -105.92 116.71 32.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.507 0.769 . . . . 0.0 109.223 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.6 p -80.48 166.16 21.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 110.018 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -80.05 159.71 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.07 5.25 20.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.13 -86.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.242 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -177.77 40.81 0.09 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.478 1.111 . . . . 0.0 110.938 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.58 143.39 25.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.352 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -139.26 74.15 0.39 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.634 1.209 . . . . 0.0 110.818 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -26.96 10.41 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.771 . . . . 0.0 111.04 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -84.6 142.82 29.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.177 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.51 112.08 0.26 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 95' ' ' VAL . 4.3 p -70.5 155.56 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.207 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -87.2 104.67 16.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.779 HD11 ' CG1' ' A' ' 69' ' ' VAL . 3.7 tt -65.8 119.97 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.439 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.957 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.463 ' C ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.463 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.9 p 57.94 -149.24 0.46 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 110.488 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.839 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -80.6 114.93 19.84 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.42 1.075 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.1 p -140.08 150.24 44.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.628 1.205 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.886 ' HB ' HD13 ' A' ' 110' ' ' ILE . 2.4 t -83.87 132.7 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.401 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.849 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -30.48 -73.41 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.849 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.8 Cg_endo -74.81 -158.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.504 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -146.61 -68.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 110.133 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.0 t -105.2 160.73 14.86 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.501 1.126 . . . . 0.0 110.043 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.77 19.08 57.13 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.63 HD22 HG21 ' A' ' 17' ' ' THR . 3.1 mt -88.75 145.55 25.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 0.725 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -134.76 164.69 26.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.481 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 13.8 p-10 -59.67 88.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.77 23.7 0.95 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.581 1.176 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.63 HG21 HD22 ' A' ' 13' ' ' LEU . 36.2 m -87.54 104.37 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.276 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 t -78.97 124.89 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.446 1.091 . . . . 0.0 109.366 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.764 HG21 HG13 ' A' ' 7' ' ' VAL . 23.5 m -151.82 169.88 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -102.63 135.46 44.22 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 6' ' ' THR . 30.3 t -109.33 103.99 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.61 126.72 35.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.42 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -114.58 82.8 0.32 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.424 1.077 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.85 132.88 34.35 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 66.18 14.57 61.83 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.572 1.17 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.026 HD11 HD21 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -83.07 -142.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.988 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 8.2 mm100 -47.32 90.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.62 89.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.225 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 70.21 8.15 61.43 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.624 1.202 . . . . 0.0 111.0 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.584 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.12 177.31 6.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 0.0 110.416 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.832 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -141.83 114.15 8.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.21 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.607 ' CZ ' ' NE2' ' A' ' 27' ' ' GLN . 7.2 m-30 -116.35 -169.58 1.64 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 111.037 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -107.5 111.05 23.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.64 HG23 HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -77.81 139.31 18.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.566 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 170.67 159.57 16.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.403 1.064 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.566 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -94.9 102.35 14.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 110.265 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.557 ' SG ' HD21 ' A' ' 45' ' ' LEU . 1.4 t -106.05 148.63 27.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -179.99 167.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.443 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 41.4 p-90 -76.9 116.33 17.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 108.055 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.684 HG21 ' OG1' ' A' ' 85' ' ' THR . 0.3 OUTLIER -105.51 -43.92 7.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.605 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -83.25 -162.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.37 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 42' ' ' THR . 2.5 m -65.14 80.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.98 22.62 66.89 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.501 1.126 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 39' ' ' TRP . 36.7 t -100.07 114.67 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.779 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.557 HD21 ' SG ' ' A' ' 37' ' ' CYS . 9.3 tt -66.72 101.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -112.63 139.61 48.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 55.7 m -98.59 157.05 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 108.384 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.453 ' O ' ' HB3' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -83.07 165.51 40.71 Favored Pre-proline 0 C--N 1.323 -0.573 0 O-C-N 124.429 1.08 . . . . 0.0 109.204 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.67 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 17.9 Cg_endo -75.01 -20.71 16.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.39 13.36 35.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.415 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.566 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -89.15 6.59 39.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.368 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.67 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.1 m-85 -106.61 84.91 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' SER . 1.3 t -144.48 87.55 1.88 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' SER . 60.3 p -35.23 148.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.931 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.64 HG11 HG23 ' A' ' 34' ' ' VAL . 7.3 p -152.93 156.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.388 1.055 . . . . 0.0 109.239 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.832 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -146.68 134.89 21.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 0.0 110.362 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.988 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -99.93 133.62 44.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -51.85 159.62 0.81 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.9 -28.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 109.248 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.425 ' N ' ' C ' ' A' ' 58' ' ' ASP . 49.0 t30 -88.58 32.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.85 46.23 7.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.427 ' N ' ' HB1' ' A' ' 57' ' ' ALA . 1.6 m -114.54 98.18 6.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 0.766 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.976 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -107.27 84.23 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.3 p -93.54 81.4 4.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.511 ' HB ' HG23 ' A' ' 55' ' ' VAL . 1.8 t -108.78 135.69 49.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.414 1.072 . . . . 0.0 110.454 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 54.1 p -98.16 137.5 36.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.592 1.183 . . . . 0.0 110.046 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.859 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -155.53 168.11 28.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.211 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.859 ' H ' HD13 ' A' ' 67' ' ' LEU . 89.7 m -99.76 140.5 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.36 1.038 . . . . 0.0 110.42 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.945 HG13 ' NH2' ' A' ' 71' ' ' ARG . 57.3 t -89.12 85.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 10.7 mmt180 -88.66 78.93 7.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.162 . . . . 0.0 110.351 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.945 ' NH2' HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -61.57 -23.49 66.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 38.0 t -103.41 125.99 50.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.962 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' HB3' ' CG ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 165.85 -176.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 8.6 tt0 -87.04 115.29 24.32 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.443 1.09 . . . . 0.0 110.355 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.68 166.5 30.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.586 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 2.6 m-85 -132.63 121.59 23.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 0.752 . . . . 0.0 111.049 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.682 HD23 HG23 ' A' ' 81' ' ' THR . 0.3 OUTLIER -43.99 166.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.601 1.188 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.503 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -71.46 -23.5 61.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.947 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.13 -58.79 4.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.412 1.07 . . . . 0.0 109.276 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.28 -25.87 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.682 HG23 HD23 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -69.32 144.21 53.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.472 0.748 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.586 ' HG2' ' CD2' ' A' ' 76' ' ' PHE . 18.0 mtt180 -78.19 129.47 35.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.334 1.021 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.605 ' CE3' ' OD2' ' A' ' 41' ' ' ASP . 60.8 t-105 -92.87 -87.76 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 170.03 -52.81 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.616 1.197 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.684 ' OG1' HG21 ' A' ' 40' ' ' VAL . 17.4 m 66.38 -60.95 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 0.728 . . . . 0.0 110.376 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 72' ' ' SER . 76.2 t 66.21 -86.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -118.56 100.75 7.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 29.4 t -85.0 48.94 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.644 1.215 . . . . 0.0 108.267 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 t -90.42 -23.54 21.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.611 1.194 . . . . 0.0 110.389 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 m -88.11 -39.23 14.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.419 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -91.07 126.92 36.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.075 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.993 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -69.34 103.5 2.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.397 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.459 ' HB2' ' NH1' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -79.55 122.88 27.04 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.522 1.139 . . . . 0.0 108.138 -179.844 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.566 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 21.3 mt-30 -89.92 114.52 26.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.55 HG22 HH22 ' A' ' 71' ' ' ARG . 4.6 t -86.78 108.08 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.151 . . . . 0.0 109.221 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -164.42 178.81 39.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.504 1.127 . . . . 0.0 111.032 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.026 HD21 HD11 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -106.04 144.46 32.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 0.794 . . . . 0.0 109.219 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.1 p -105.5 144.33 32.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.071 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -66.19 161.27 22.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.26 14.79 10.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.16 -37.85 8.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.641 1.213 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.03 50.68 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.414 1.071 . . . . 0.0 111.045 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 81.6 m-20 -148.65 154.0 39.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 0.798 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -139.02 69.36 0.48 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.566 1.166 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -37.31 2.06 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.48 1.779 . . . . 0.0 111.063 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.67 141.6 34.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.177 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 149.51 119.57 0.99 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.9 p -104.5 123.29 58.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 0.766 . . . . 0.0 109.395 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.993 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -66.44 87.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.886 HD13 ' HB ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -100.95 159.6 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.532 1.145 . . . . 0.0 109.157 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.0 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.046 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.899 ' HD2' HG21 ' A' ' 6' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 111.064 -0.398 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.48 ' HG1' ' C ' ' A' ' 3' ' ' PRO . 30.0 p 46.53 -120.59 1.04 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.13 . . . . 0.0 110.364 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.505 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -87.04 118.6 26.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.899 HG21 ' HD2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -131.7 144.84 51.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.366 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.014 HG13 ' HB ' ' A' ' 19' ' ' VAL . 3.9 t -95.21 123.33 47.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.362 1.039 . . . . 0.0 109.253 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.749 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -59.87 -69.66 0.52 Allowed Pre-proline 0 N--CA 1.451 -0.39 0 O-C-N 124.517 1.136 . . . . 0.0 110.488 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.921 ' HG2' HG12 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -74.98 56.65 4.31 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.455 1.766 . . . . 0.0 111.032 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.445 ' C ' HD23 ' A' ' 13' ' ' LEU . 3.2 t -89.31 4.19 49.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' GLY . 5.0 t -100.56 135.74 41.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.915 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 33.38 50.02 0.51 Allowed Glycine 0 CA--C 1.527 0.843 0 O-C-N 124.648 1.218 . . . . 0.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.664 HD21 ' N ' ' A' ' 111' ' ' SER . 1.3 pp -75.21 -178.24 3.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.357 0.681 . . . . 0.0 109.2 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -134.77 150.6 50.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.38 86.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.475 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 120.17 31.86 1.24 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.117 . . . . 0.0 110.923 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.642 HG22 HG13 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -95.04 132.82 39.5 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.522 0.778 . . . . 0.0 110.417 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.82 108.31 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.586 1.179 . . . . 0.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.014 ' HB ' HG13 ' A' ' 7' ' ' VAL . 33.6 m -114.13 157.0 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.181 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -103.59 114.19 28.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.505 HG12 ' HB1' ' A' ' 5' ' ' ALA . 13.1 t -92.41 98.31 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.48 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.05 112.38 23.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.405 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -90.92 94.71 2.0 Allowed Glycine 0 CA--C 1.532 1.133 0 O-C-N 124.406 1.066 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.43 90.5 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 0.812 . . . . 0.0 109.232 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.529 ' O ' ' O ' ' A' ' 26' ' ' LEU . . . 96.71 38.32 4.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.143 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.065 ' CD1' HD21 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -56.98 -141.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.431 0.724 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.56 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 5.5 tp60 -84.91 41.05 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 75.47 -9.69 1.37 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.399 1.062 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.698 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 127.13 2.49 6.5 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.507 1.13 . . . . 0.0 111.102 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.604 HG22 ' H ' ' A' ' 31' ' ' ALA . 3.0 m -58.51 -152.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 110.371 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.604 ' H ' HG22 ' A' ' 30' ' ' THR . . . -133.37 131.85 40.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CD2' ' C ' ' A' ' 98' ' ' SER . 3.1 m-85 -129.21 -166.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 4.3 t70 -128.39 119.9 25.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.935 HG12 ' OD1' ' A' ' 51' ' ' ASP . 97.8 t -77.37 122.46 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.403 ' N ' ' OD1' ' A' ' 51' ' ' ASP . . . -162.51 115.71 0.67 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.481 1.113 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.585 HE21 ' CB ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -73.57 100.78 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.242 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.553 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -99.22 152.0 20.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 108.279 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.644 ' HB2' ' H ' ' A' ' 94' ' ' GLN . . . 172.59 163.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.439 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 38.6 p-90 -62.74 82.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.712 ' CG1' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -75.61 -40.38 40.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.088 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.609 ' CG ' ' CE3' ' A' ' 83' ' ' TRP . 6.8 t0 -90.64 -152.72 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.264 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.661 HG22 ' O ' ' A' ' 42' ' ' THR . 1.3 m -77.7 70.0 4.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.596 1.185 . . . . 0.0 110.455 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.23 22.03 61.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.496 HG11 ' HB3' ' A' ' 77' ' ' LEU . 22.4 t -105.4 109.36 27.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -63.59 80.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.712 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -92.68 146.14 23.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 25.1 m -98.63 154.17 18.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.599 1.187 . . . . 0.0 108.28 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.585 ' CB ' HE21 ' A' ' 36' ' ' GLN . 2.7 m-80 -99.21 124.5 44.83 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.56 ' CD ' ' O ' ' A' ' 74' ' ' GLU . 18.3 Cg_endo -74.97 6.73 3.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.462 1.769 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 1.051 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . . . -99.71 -1.56 37.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.935 ' OD1' HG12 ' A' ' 34' ' ' VAL . 8.5 t70 -114.69 -16.85 11.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.248 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 49' ' ' PRO . 3.3 m-85 -52.45 101.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 111.051 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.69 102.63 2.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 30.4 p -49.57 148.4 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.411 ' CG1' HG23 ' A' ' 34' ' ' VAL . 5.6 p -155.6 166.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 30' ' ' THR . 0.9 OUTLIER -144.27 155.3 43.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.432 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.802 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -105.48 146.51 29.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.407 1.067 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -61.74 161.12 10.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.205 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -39.02 -36.38 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -88.46 36.72 0.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.14 42.67 5.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 2.6 m -106.21 96.42 6.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.865 ' HB3' HD13 ' A' ' 26' ' ' LEU . . . -102.3 74.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 p -92.07 75.07 5.5 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.404 ' CB ' HG21 ' A' ' 55' ' ' VAL . 83.9 m -109.85 143.46 39.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.482 ' O ' HD22 ' A' ' 67' ' ' LEU . 20.4 p -109.86 134.39 52.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.076 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -141.72 -179.42 6.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.2 t -105.48 122.62 46.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.684 ' O ' HG13 ' A' ' 69' ' ' VAL . 8.2 p -88.26 92.66 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 109.229 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.475 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 13.4 mmt180 -88.57 71.0 8.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.409 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 7.4 ttp180 -41.23 -32.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 56.8 m -93.94 123.72 37.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.096 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 1.051 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 0.6 OUTLIER 174.49 179.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' ' 49' ' ' PRO . 2.5 tp10 -85.55 111.45 20.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.25 153.09 33.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.15 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -128.6 126.49 40.36 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 0.796 . . . . 0.0 111.013 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.963 HD21 ' HB2' ' A' ' 83' ' ' TRP . 3.9 mt -64.69 140.77 58.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.202 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 78' ' ' PHE . 3.9 p90 -70.17 -27.3 64.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.161 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -54.53 -50.97 66.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.33 -27.2 0.25 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.387 1.055 . . . . 0.0 111.032 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.3 m -85.46 164.35 17.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.407 0.71 . . . . 0.0 110.369 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 35.5 ptt180 -114.31 145.59 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.963 ' HB2' HD21 ' A' ' 77' ' ' LEU . 59.8 t-105 -104.79 -90.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 108.04 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 143.59 -68.21 0.43 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.741 ' C ' HG23 ' A' ' 86' ' ' VAL . 1.6 m 67.72 -59.63 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.749 . . . . 0.0 110.353 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.741 HG23 ' C ' ' A' ' 85' ' ' THR . 2.6 t 84.7 -46.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -130.3 106.14 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 48.5 t -90.81 42.37 1.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.567 1.167 . . . . 0.0 108.32 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 66.6 m -87.4 -17.62 31.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.5 m -87.97 -52.07 5.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.065 . . . . 0.0 110.477 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.416 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -89.15 129.57 35.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.396 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.417 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -61.88 114.86 3.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.586 1.179 . . . . 0.0 109.228 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.506 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -89.57 126.73 35.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.283 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.644 ' H ' ' HB2' ' A' ' 38' ' ' ALA . 39.0 mt-30 -96.84 110.79 23.21 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.535 HG23 ' HB ' ' A' ' 110' ' ' ILE . 39.8 t -89.36 121.69 39.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.69 169.76 40.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.065 HD21 ' CD1' ' A' ' 26' ' ' LEU . 2.0 pp -106.65 125.32 50.85 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 0.792 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.537 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 87.7 p -100.02 166.35 11.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -79.11 160.73 26.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.643 1.214 . . . . 0.0 109.222 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.49 13.31 12.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.7 -61.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 154.08 49.85 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.566 1.166 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -139.68 148.73 42.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -118.64 110.34 1.91 Allowed Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.503 1.127 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.358 1.031 0 O-C-N 124.619 1.852 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.12 139.91 35.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.445 1.09 . . . . 0.0 110.331 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -115.59 167.74 12.47 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.461 1.1 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.695 HG13 HD12 ' A' ' 110' ' ' ILE . 1.8 p -104.16 121.98 56.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 109.276 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.7 93.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.646 1.216 . . . . 0.0 109.419 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.762 HD11 ' CB ' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -81.33 137.73 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.372 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.664 ' N ' HD21 ' A' ' 13' ' ' LEU . 3.2 p . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.483 1.115 . . . . 0.0 110.069 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.838 0 N-CA-C 110.91 -0.458 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 2.9 p 47.0 -142.54 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.639 1.212 . . . . 0.0 110.434 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.647 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . . . -84.34 124.51 31.35 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.611 1.194 . . . . 0.0 109.316 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -144.54 145.19 31.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.958 HG13 ' HB ' ' A' ' 19' ' ' VAL . 2.3 t -88.37 120.33 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.769 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -54.22 -70.42 0.29 Allowed Pre-proline 0 N--CA 1.451 -0.376 0 O-C-N 124.414 1.072 . . . . 0.0 110.463 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.904 ' HG2' HG12 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.05 56.12 4.18 Favored 'Trans proline' 0 C--N 1.362 1.251 0 O-C-N 124.402 1.738 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 111' ' ' SER . 83.5 p -89.17 23.11 2.56 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.389 1.056 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -112.29 128.34 56.24 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.643 1.214 . . . . 0.0 110.099 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' SER . . . 36.45 50.59 1.34 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.031 HD13 HG23 ' A' ' 110' ' ' ILE . 4.7 mp -53.53 -175.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 0.717 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.7 t -143.0 152.38 41.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.95 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -52.84 87.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.628 ' HA2' HG22 ' A' ' 68' ' ' THR . . . 101.41 46.63 1.65 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.482 HG22 HG13 ' A' ' 19' ' ' VAL . 1.1 m -92.12 127.06 37.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.453 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.431 ' H ' HG23 ' A' ' 18' ' ' VAL . 1.5 t -74.33 111.63 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.958 ' HB ' HG13 ' A' ' 7' ' ' VAL . 31.5 m -120.07 162.15 18.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -113.82 115.17 27.34 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.419 1.074 . . . . 0.0 109.209 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.59 HG12 ' HB1' ' A' ' 5' ' ' ALA . 5.4 t -90.77 93.87 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.376 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -88.17 121.03 30.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -104.5 122.04 7.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.578 1.174 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.45 100.94 7.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.63 24.97 26.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.791 ' CD1' HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -90.27 -146.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.983 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 17.5 mm-40 -45.23 91.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -61.68 85.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.597 1.186 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 77.9 6.21 87.12 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.582 1.177 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.548 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.74 -176.95 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.667 0.863 . . . . 0.0 110.44 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.86 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -142.68 122.67 13.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CE1' ' OE1' ' A' ' 27' ' ' GLN . 3.8 m-30 -118.13 -178.14 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.049 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.512 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 23.9 t0 -98.14 112.9 24.7 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.913 HG23 HD12 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -85.66 141.81 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.615 1.197 . . . . 0.0 109.287 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.554 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 162.86 156.16 8.41 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.471 1.107 . . . . 0.0 111.053 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.891 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -92.5 100.46 13.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 0.0 110.352 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 1.8 t -105.58 153.47 21.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.594 1.184 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 176.62 166.17 0.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.369 1.043 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.743 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 34.0 p-90 -76.66 108.84 9.95 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.682 HG21 HG23 ' A' ' 85' ' ' THR . 0.4 OUTLIER -97.99 -45.28 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.611 ' OD2' ' CZ2' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -86.41 -162.78 0.8 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.7 m -61.32 79.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.396 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 61.91 24.76 65.1 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.61 1.194 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.85 HG11 HD22 ' A' ' 77' ' ' LEU . 84.6 t -97.56 108.15 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.424 0.72 . . . . 0.0 109.246 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -65.5 90.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.533 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -103.75 146.64 28.32 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.56 1.163 . . . . 0.0 109.224 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.4 m -105.73 153.58 21.66 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.456 1.097 . . . . 0.0 108.416 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.587 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 4.4 m-20 -76.61 167.91 32.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.608 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -74.98 -16.71 20.1 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.542 1.811 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.481 ' CB ' ' HD2' ' A' ' 70' ' ' ARG . . . -105.01 12.64 32.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.595 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -90.46 10.92 23.3 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.627 1.205 . . . . 0.0 109.262 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -107.65 84.18 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.94 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.641 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -150.16 86.9 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.8 p -56.38 134.23 53.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.048 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.683 HG11 ' OG1' ' A' ' 65' ' ' THR . 35.8 m -129.26 168.54 22.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.86 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -139.3 138.02 36.34 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.456 1.098 . . . . 0.0 110.439 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.999 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -101.34 133.55 45.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.583 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -53.88 158.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.18 -29.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.244 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.438 ' N ' ' C ' ' A' ' 58' ' ' ASP . 14.9 t-20 -88.82 34.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.91 40.91 5.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -99.2 93.47 5.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.413 0.714 . . . . 0.0 110.027 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.999 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -100.01 84.66 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 p -97.28 79.31 2.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.872 HG21 HG21 ' A' ' 34' ' ' VAL . 6.3 t -109.05 131.42 55.09 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.4 p -109.47 136.59 48.64 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.394 1.059 . . . . 0.0 110.04 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.466 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -150.38 175.15 12.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.228 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.628 HG22 ' HA2' ' A' ' 16' ' ' GLY . 5.3 m -102.48 135.95 43.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.443 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.554 HG11 HG21 ' A' ' 110' ' ' ILE . 43.0 t -89.29 87.9 2.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.664 1.227 . . . . 0.0 109.385 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.583 ' HG3' HG22 ' A' ' 68' ' ' THR . 13.5 mtt-85 -93.79 101.83 13.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 71' ' ' ARG . 4.2 ttm-85 -78.49 -26.83 46.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.613 1.196 . . . . 0.0 110.277 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -99.44 113.78 26.33 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.454 1.096 . . . . 0.0 109.993 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 172.1 -175.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' ' 49' ' ' PRO . 1.2 tt0 -91.15 123.48 34.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 110.227 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.407 ' HA3' ' OG1' ' A' ' 85' ' ' THR . . . -103.94 164.37 15.19 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.501 1.126 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 46.2 m-85 -121.28 135.76 55.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.582 0.813 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.85 HD22 HG11 ' A' ' 44' ' ' VAL . 36.5 mt -47.6 174.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.614 ' HD1' HG13 ' A' ' 44' ' ' VAL . 7.4 p90 -80.31 -25.21 39.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.53 -55.81 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.22 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 165.64 -28.95 0.2 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.364 1.04 . . . . 0.0 111.048 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.708 ' HB ' HD12 ' A' ' 77' ' ' LEU . 19.1 m -66.31 133.47 50.62 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.426 0.721 . . . . 0.0 110.271 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -68.05 135.61 52.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.611 ' CZ2' ' OD2' ' A' ' 41' ' ' ASP . 35.6 t-105 -102.57 -91.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 177.15 -47.77 0.1 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.403 1.064 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.682 HG23 HG21 ' A' ' 40' ' ' VAL . 1.9 m 65.38 -66.2 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 0.805 . . . . 0.0 110.406 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.594 HG12 ' N ' ' A' ' 87' ' ' ASP . 77.7 t 64.48 -102.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.594 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.9 OUTLIER -96.41 105.03 17.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 39.3 t -89.75 39.64 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 108.385 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.9 t -88.83 -21.45 23.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.387 1.054 . . . . 0.0 110.425 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.9 m -88.43 -47.95 7.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.613 1.196 . . . . 0.0 110.416 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.743 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -90.02 106.65 18.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -49.25 116.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.47 126.57 33.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 108.363 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.557 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 33.6 mt-30 -98.98 110.54 23.14 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.055 ' O ' HG12 ' A' ' 108' ' ' VAL . 36.8 t -87.42 114.85 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.332 1.02 . . . . 0.0 109.31 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.493 ' C ' HD13 ' A' ' 97' ' ' LEU . . . -167.23 174.33 42.44 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.913 HD12 HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -108.51 113.05 25.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.217 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.4 p -83.57 155.84 23.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.964 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -42.79 163.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.149 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.25 -21.49 65.22 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.392 1.057 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.16 -8.79 52.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.227 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.84 28.49 50.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.665 1.228 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.408 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 12.6 p30 -146.25 156.04 43.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.799 . . . . 0.0 109.229 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.77 148.75 4.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.57 1.169 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.1 -12.6 21.33 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.479 1.778 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.63 109.8 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.54 137.26 3.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.583 1.177 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 1.055 HG12 ' O ' ' A' ' 95' ' ' VAL . 12.0 p -103.94 127.23 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.9 93.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 1.031 HG23 HD13 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -70.1 126.19 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.394 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 10' ' ' SER . 12.1 m . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.112 . . . . 0.0 109.93 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.742 ' HG2' HG21 ' A' ' 6' ' ' THR . 17.8 Cg_endo . . . . . 0 N--CA 1.452 -0.949 0 N-CA-C 110.924 -0.452 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.491 ' HB ' HD22 ' A' ' 26' ' ' LEU . 4.4 p 51.58 -139.83 0.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.577 1.173 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.669 ' HB2' HD21 ' A' ' 97' ' ' LEU . . . -75.22 115.75 15.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.742 HG21 ' HG2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -142.24 142.86 32.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.37 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.953 HG12 ' CG2' ' A' ' 19' ' ' VAL . 1.2 t -79.18 143.31 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.484 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.53 -56.02 1.38 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.426 1.079 . . . . 0.0 110.397 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.881 ' CD ' HG21 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.88 -171.88 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.382 1.728 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.9 p -151.56 -60.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.65 159.31 35.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.42 28.36 67.91 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.424 1.078 . . . . 0.0 110.955 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.867 HD22 HG11 ' A' ' 69' ' ' VAL . 0.8 OUTLIER -78.41 174.98 10.71 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.411 0.712 . . . . 0.0 109.375 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.863 ' N ' HD12 ' A' ' 13' ' ' LEU . 3.7 t -128.31 153.24 47.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.404 1.065 . . . . 0.0 109.999 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.5 56.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 163.17 31.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.414 ' O ' ' HB ' ' A' ' 69' ' ' VAL . 8.6 m -91.74 102.89 15.51 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.469 0.746 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.511 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.6 p -93.48 128.15 45.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.404 1.065 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.953 ' CG2' HG12 ' A' ' 7' ' ' VAL . 33.2 m -152.35 -161.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.575 1.172 . . . . 0.0 109.369 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 5.8 pttm -113.96 140.74 48.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.689 HG13 ' C ' ' A' ' 6' ' ' THR . 2.5 t -111.64 107.22 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.231 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.24 129.26 35.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.596 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -108.31 100.01 1.4 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.0 104.74 16.77 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.552 0.795 . . . . 0.0 109.36 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.7 32.62 14.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.604 1.19 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.609 HD12 ' H ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -80.68 -141.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.736 . . . . 0.0 109.227 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.981 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 4.3 mm-40 -76.9 73.06 3.51 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.602 1.189 . . . . 0.0 110.407 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . -58.83 87.14 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 115.71 -30.59 6.55 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.487 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -92.68 -171.04 2.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 110.405 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.856 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -150.49 140.99 22.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.401 1.063 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.89 ' HB2' HD12 ' A' ' 97' ' ' LEU . 9.4 m-30 -123.68 -169.82 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 111.013 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.517 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 5.7 t0 -123.52 118.9 28.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 51' ' ' ASP . 2.5 t -71.37 129.8 35.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.621 1.201 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.529 ' CA ' ' OD1' ' A' ' 51' ' ' ASP . . . -172.7 114.38 0.52 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.429 1.081 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.731 ' HG2' HG22 ' A' ' 95' ' ' VAL . 2.6 mt-30 -55.34 88.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.651 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -98.68 147.33 24.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 166.9 172.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.372 1.045 . . . . 0.0 109.216 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.425 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 9.1 p90 -69.63 86.33 0.47 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.886 HG22 HG21 ' A' ' 85' ' ' THR . 0.4 OUTLIER -86.33 -49.7 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.206 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.538 ' HB2' ' CG ' ' A' ' 83' ' ' TRP . 1.2 t70 -91.78 170.87 9.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.186 . . . . 0.0 109.219 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.526 ' N ' ' CG ' ' A' ' 41' ' ' ASP . 27.9 m -33.66 94.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.597 1.186 . . . . 0.0 110.36 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 44.12 25.66 0.74 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 111.065 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.735 HG11 HD22 ' A' ' 77' ' ' LEU . 2.6 t -103.8 121.82 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.543 0.79 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.9 OUTLIER -74.97 88.12 2.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.688 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -96.93 146.86 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 59.3 m -102.89 155.18 18.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.52 ' CB ' HE21 ' A' ' 36' ' ' GLN . 9.7 m-80 -92.49 110.64 46.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.381 1.051 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.664 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 17.9 Cg_endo -74.98 7.54 2.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.591 1.838 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.741 ' HB1' ' CE2' ' A' ' 73' ' ' PHE . . . -105.95 -4.08 21.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.234 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.67 ' HB2' ' NE2' ' A' ' 36' ' ' GLN . 10.5 t0 -113.83 2.6 15.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.664 ' CD2' ' HA ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -58.25 107.85 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.415 ' CB ' HD21 ' A' ' 67' ' ' LEU . 38.9 t -153.62 96.71 2.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 12.4 p -60.02 132.4 53.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.891 HG21 ' HB ' ' A' ' 65' ' ' THR . 1.7 p -147.24 161.2 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.856 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -122.03 158.72 28.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.344 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.981 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -105.48 137.76 42.79 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -67.74 156.47 36.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.415 1.072 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.06 -34.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.405 1.065 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -87.42 36.99 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 39.13 41.5 1.42 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -102.72 101.47 11.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 0.0 109.991 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.596 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . . . -105.87 78.26 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.6 p -90.35 78.08 6.5 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.4 1.063 . . . . 0.0 109.915 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.891 ' HB ' HG21 ' A' ' 55' ' ' VAL . 15.0 t -108.33 129.14 55.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.548 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.463 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 19.6 p -98.17 147.93 24.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -158.58 -178.68 7.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.207 -179.913 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 9.6 t -106.26 128.92 54.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.867 HG11 HD22 ' A' ' 13' ' ' LEU . 60.0 t -88.54 88.41 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -107.98 79.37 1.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.662 ' HD2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -47.72 -25.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.36 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 10.2 p -92.32 112.21 24.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.741 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -179.61 162.14 1.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.594 1.184 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.533 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 5.9 tt0 -82.81 113.59 20.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.39 163.72 37.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.403 1.064 . . . . 0.0 111.036 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.565 ' CZ ' ' HG2' ' A' ' 82' ' ' ARG . 2.2 m-85 -119.71 121.73 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.724 . . . . 0.0 110.997 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.735 HD22 HG11 ' A' ' 44' ' ' VAL . 39.4 mt -41.67 161.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -75.9 -27.7 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 111.041 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -66.38 -54.8 20.21 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.06 -28.18 0.22 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.66 ' HB ' HD12 ' A' ' 77' ' ' LEU . 7.4 m -67.68 157.81 33.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 0.0 110.349 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -90.46 135.44 33.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.63 1.206 . . . . 0.0 110.281 179.939 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.538 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 65.7 t-105 -101.93 -89.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.533 ' HA2' ' CG ' ' A' ' 74' ' ' GLU . . . 144.21 -81.15 0.22 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.607 1.192 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.886 HG21 HG22 ' A' ' 40' ' ' VAL . 2.0 m 67.54 -57.4 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 72' ' ' SER . 59.0 t 72.1 -103.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.461 ' N ' HG12 ' A' ' 86' ' ' VAL . 9.7 t70 -64.51 96.6 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.059 . . . . 0.0 109.35 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 16.1 t -87.83 46.6 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 108.375 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 74.8 m -85.92 -22.19 27.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.496 1.122 . . . . 0.0 110.415 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.1 m -89.47 -44.45 10.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.627 1.205 . . . . 0.0 110.367 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.428 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -88.02 142.75 27.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.748 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -91.0 87.67 6.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.409 1.068 . . . . 0.0 109.233 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.484 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 63.3 m -67.84 133.89 49.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 108.394 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.443 ' H ' ' HB2' ' A' ' 38' ' ' ALA . 33.0 mt-30 -97.85 115.61 28.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.731 HG22 ' HG2' ' A' ' 36' ' ' GLN . 1.9 t -88.34 125.73 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.398 1.061 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -178.55 174.46 46.67 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.89 HD12 ' HB2' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -105.69 129.6 53.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 0.719 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.531 ' CB ' ' HB3' ' A' ' 105' ' ' PRO . 84.4 p -104.79 165.06 11.33 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.498 1.123 . . . . 0.0 110.095 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.564 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -86.05 158.91 19.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.393 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.79 13.1 15.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 109.32 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.86 -47.28 3.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.42 51.61 0.28 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 105' ' ' PRO . 82.2 m-20 -113.87 146.08 40.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 0.761 . . . . 0.0 109.364 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -31.66 93.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.817 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.531 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 18.2 Cg_endo -75.06 151.17 38.92 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.488 1.783 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.478 ' HG2' HG21 ' A' ' 4' ' ' THR . 0.9 OUTLIER -91.25 150.36 21.36 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 179.926 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -176.78 138.65 4.09 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 110' ' ' ILE . 2.2 p -105.69 120.58 56.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.587 0.816 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.748 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -61.61 82.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.392 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.618 HG23 ' CD2' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -84.78 158.29 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.614 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.5 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.055 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.6 ' C ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.6 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.2 p 61.76 -163.89 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.61 1.194 . . . . 0.0 110.431 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.606 ' HB2' HD23 ' A' ' 26' ' ' LEU . . . -62.42 112.79 2.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.212 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.573 HG22 ' CG2' ' A' ' 108' ' ' VAL . 0.9 OUTLIER -140.48 146.11 37.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.827 HG13 ' HB ' ' A' ' 19' ' ' VAL . 1.5 t -88.01 121.75 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.744 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -55.95 -68.8 0.49 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 110.43 -179.921 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.928 ' HG2' HG12 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.93 59.88 5.24 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.581 1.832 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.55 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 85.0 p -88.3 21.56 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -107.94 137.7 45.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.586 1.179 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 37.57 48.18 1.72 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.421 1.075 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.831 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -42.99 163.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 0.0 109.347 179.922 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -139.38 142.92 37.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.674 1.234 . . . . 0.0 109.955 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -53.68 90.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.482 ' HA2' ' CG2' ' A' ' 68' ' ' THR . . . 104.43 38.75 2.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.585 1.178 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.613 HG22 HG13 ' A' ' 19' ' ' VAL . 1.0 OUTLIER -93.13 124.35 37.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 110.332 179.896 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -74.64 113.64 13.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.928 HG12 ' HG2' ' A' ' 9' ' ' PRO . 5.5 m -118.92 154.9 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.304 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 111.59 23.99 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.616 1.197 . . . . 0.0 109.218 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.738 HG22 HG23 ' A' ' 7' ' ' VAL . 95.2 t -89.17 92.31 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -88.66 116.55 26.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.457 ' HA2' ' N ' ' A' ' 5' ' ' ALA . . . -101.55 75.5 0.36 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.096 . . . . 0.0 111.062 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.453 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . . . -78.06 104.75 8.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.38 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 79.16 35.62 29.81 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.621 1.201 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.804 HD21 HD21 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -61.5 -121.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.584 0.814 . . . . 0.0 109.214 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.718 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -85.04 33.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 76.08 -13.59 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.636 1.21 . . . . 0.0 109.359 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.784 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 132.31 3.97 3.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.54 HG22 ' H ' ' A' ' 31' ' ' ALA . 2.0 m -58.01 -154.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.417 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.66 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -135.7 142.06 45.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.405 1.066 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.607 ' CD1' ' HA ' ' A' ' 99' ' ' ASP . 6.1 m-30 -151.04 169.9 20.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -91.02 111.22 22.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.943 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.673 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -79.06 136.86 22.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 109.226 -179.891 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.591 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 178.03 160.4 24.39 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.608 1.192 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.829 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -96.41 101.51 13.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 0.796 . . . . 0.0 110.22 -179.932 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 3.5 t -107.89 151.64 25.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 108.334 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 175.47 167.54 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 109.309 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -68.24 108.18 3.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.632 1.207 . . . . 0.0 108.01 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.986 HG22 ' OG1' ' A' ' 85' ' ' THR . 0.4 OUTLIER -93.32 -46.0 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.362 179.949 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.609 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -89.7 -161.02 0.74 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.9 m -70.06 84.38 0.52 Allowed 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 124.378 1.049 . . . . 0.0 110.435 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.71 20.71 70.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.461 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 98.8 t -101.2 110.37 27.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.539 0.788 . . . . 0.0 109.228 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.496 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -62.06 99.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.976 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -111.32 135.5 51.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 48.7 m -97.11 156.02 16.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 108.291 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.779 ' ND2' ' CE2' ' A' ' 73' ' ' PHE . 14.4 m-20 -79.25 161.64 67.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.403 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.552 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.1 -13.85 21.08 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.6 1.842 . . . . 0.0 110.942 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.62 18.73 20.55 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.591 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.02 9.26 20.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.552 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -104.38 88.23 2.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.628 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -148.33 83.73 1.49 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.629 1.206 . . . . 0.0 109.92 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.87 143.83 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.96 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.693 HG21 ' CB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -156.22 164.04 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 O-C-N 124.354 1.034 . . . . 0.0 109.364 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.66 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -145.41 153.65 41.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.424 1.077 . . . . 0.0 110.438 179.926 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.784 ' HB3' ' HA2' ' A' ' 29' ' ' GLY . . . -101.53 145.1 29.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.629 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER -59.02 160.96 5.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.7 -33.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.362 1.039 . . . . 0.0 109.108 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -88.39 34.04 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.197 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.629 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.82 45.11 7.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.156 . . . . 0.0 111.065 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 17.2 m -113.98 97.47 6.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 0.742 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.78 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -102.66 82.43 2.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.4 p -91.99 79.13 5.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.574 1.171 . . . . 0.0 110.043 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.693 ' CB ' HG21 ' A' ' 55' ' ' VAL . 2.3 t -107.36 142.68 36.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 110.39 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.8 p -100.21 133.18 44.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.687 1.242 . . . . 0.0 109.878 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.45 166.63 22.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.746 HG22 ' HG2' ' A' ' 70' ' ' ARG . 2.3 m -105.8 133.18 50.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.386 1.054 . . . . 0.0 110.439 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.603 HG23 HG22 ' A' ' 19' ' ' VAL . 22.7 t -88.79 84.88 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.746 ' HG2' HG22 ' A' ' 68' ' ' THR . 5.7 mmt85 -88.09 68.33 9.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.609 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 5.6 ttm180 -37.19 -30.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 21.8 p -93.88 122.25 36.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.927 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.779 ' CE2' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 178.01 168.12 0.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.429 1.08 . . . . 0.0 110.971 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -93.05 110.23 21.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.418 1.074 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.1 163.63 54.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.585 1.178 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -138.51 117.27 12.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.507 0.769 . . . . 0.0 110.984 -179.934 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.645 HD21 ' HB2' ' A' ' 83' ' ' TRP . 18.2 mt -52.78 163.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 79' ' ' ASP . 2.7 p90 -77.64 -34.29 53.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.422 1.076 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 78' ' ' PHE . 2.5 t0 -53.52 -50.56 65.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.548 1.155 . . . . 0.0 109.403 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.24 -22.1 0.76 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.2 m -77.95 138.62 38.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 0.76 . . . . 0.0 110.347 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 9.1 ptp180 -83.85 142.97 30.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.636 1.21 . . . . 0.0 110.244 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.645 ' HB2' HD21 ' A' ' 77' ' ' LEU . 76.0 t-105 -104.99 -90.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.485 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 150.06 -75.13 0.26 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.394 1.058 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.986 ' OG1' HG22 ' A' ' 40' ' ' VAL . 1.2 m 68.15 -57.25 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.648 0.852 . . . . 0.0 110.418 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 72' ' ' SER . 96.1 t 72.67 -102.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.503 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -73.16 101.58 3.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 0.9 OUTLIER -83.56 72.0 10.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 108.3 -179.937 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.5 m -105.55 -27.46 11.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 110.341 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.8 m -88.48 -43.27 11.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.313 1.008 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.442 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -87.05 140.51 29.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.37 90.07 7.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.066 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 29.3 m -65.97 132.07 47.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 108.307 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 87.8 mt-30 -104.13 116.99 33.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.829 HG22 ' HG2' ' A' ' 36' ' ' GLN . 13.6 t -88.36 116.2 29.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.447 1.092 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -169.53 172.75 43.7 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.471 1.107 . . . . 0.0 111.091 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.804 HD21 HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -107.0 134.91 49.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.747 . . . . 0.0 109.351 179.883 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.3 p -104.66 167.54 9.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.607 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -64.28 161.53 16.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.55 -3.88 48.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.348 1.03 . . . . 0.0 109.325 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.25 -14.11 58.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.62 28.38 8.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.569 1.168 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 26.4 p-10 -150.03 160.63 43.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 0.729 . . . . 0.0 109.225 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 146.96 111.69 0.68 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -5.42 16.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.1 120.52 6.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 110.277 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -179.15 136.79 2.94 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.807 HG11 ' H ' ' A' ' 7' ' ' VAL . 8.2 p -103.92 118.31 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.415 0.715 . . . . 0.0 109.365 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.88 92.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.744 HG13 HG11 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -88.95 136.59 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.612 1.195 . . . . 0.0 109.247 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 4.1 t . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.437 1.086 . . . . 0.0 110.056 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.723 ' C ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.723 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER 66.68 -146.33 0.17 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.812 ' HB1' HD11 ' A' ' 97' ' ' LEU . . . -76.52 111.01 11.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.586 1.179 . . . . 0.0 109.445 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.49 HG22 ' CG2' ' A' ' 108' ' ' VAL . 1.8 p -149.37 150.74 32.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.949 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.1 t -74.2 131.24 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.474 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.24 -55.27 1.4 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.949 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.14 -159.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.403 1.739 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.58 -44.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 109.989 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.43 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 45.1 m -78.81 78.99 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.597 ' CA ' HG11 ' A' ' 69' ' ' VAL . . . -58.58 -11.62 10.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.608 1.193 . . . . 0.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 111' ' ' SER . 1.3 pp -68.95 59.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -136.61 119.69 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.946 -179.892 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 14' ' ' SER . 6.0 p-10 -34.97 94.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 42.69 69.21 0.64 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.418 1.074 . . . . 0.0 111.016 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.508 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -74.29 123.22 24.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.358 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -94.46 120.15 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.382 1.051 . . . . 0.0 109.324 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.9 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -148.17 -170.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.467 1.105 . . . . 0.0 109.185 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 42.2 mttt -121.48 131.28 54.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.51 HG22 ' HA ' ' A' ' 7' ' ' VAL . 71.6 t -97.61 106.35 18.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -87.31 135.56 33.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -115.39 73.18 0.25 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.08 122.39 25.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 0.0 109.215 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 80.33 23.59 60.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.522 ' CD2' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -84.97 -146.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.451 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 2.4 mt-30 -83.67 80.96 8.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.503 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . -61.13 130.09 44.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.365 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.05 -22.89 16.36 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.546 1.153 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.449 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -90.59 -174.0 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 0.0 110.452 179.932 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.945 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -160.34 150.3 18.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -149.89 174.7 12.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 111.07 179.934 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -94.87 119.8 34.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.233 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.823 HG23 HG21 ' A' ' 55' ' ' VAL . 1.4 t -74.27 134.18 30.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.693 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . -179.48 147.88 7.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.666 1.229 . . . . 0.0 111.012 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.581 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -93.15 108.53 20.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 110.353 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.472 ' SG ' ' CD1' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -106.39 154.56 20.62 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.58 1.175 . . . . 0.0 108.326 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 92' ' ' ALA . . . 177.68 162.95 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.562 ' CE3' ' O ' ' A' ' 39' ' ' TRP . 65.0 p-90 -67.11 106.47 1.99 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.059 HG22 ' OG1' ' A' ' 85' ' ' THR . 0.3 OUTLIER -89.11 -42.39 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.607 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 4.8 t0 -82.51 -153.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 42' ' ' THR . 7.5 t -80.79 54.74 2.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.49 1.119 . . . . 0.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.1 -0.82 40.94 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.426 1.079 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.519 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 18.0 t -79.62 115.25 21.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.376 0.692 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.472 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -63.17 99.46 0.18 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.311 1.007 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.964 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -109.61 145.25 36.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.0 m -103.77 159.13 15.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 0.0 108.304 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.7 HD22 ' N ' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -84.77 160.22 56.24 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.559 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 18.4 Cg_endo -74.93 -16.79 20.19 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.534 1.807 . . . . 0.0 111.021 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.53 17.6 23.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.576 1.173 . . . . 0.0 109.239 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.693 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.36 13.12 10.44 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.376 1.048 . . . . 0.0 109.336 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CD2' ' O ' ' A' ' 49' ' ' PRO . 16.1 m-85 -106.26 91.9 3.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 30.5 t -144.09 80.0 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 0.0 110.066 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.688 ' O ' HG13 ' A' ' 55' ' ' VAL . 96.3 p -46.08 136.48 6.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.967 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.823 HG21 HG23 ' A' ' 34' ' ' VAL . 6.7 m -159.75 168.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.945 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -139.02 169.28 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.918 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -106.57 138.48 42.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -73.75 154.7 39.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.86 -27.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.455 ' N ' ' C ' ' A' ' 58' ' ' ASP . 6.4 t30 -87.3 31.45 0.73 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.07 41.56 2.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.479 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 71.7 m -118.04 113.42 21.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 0.728 . . . . 0.0 109.99 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.48 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . . . -98.43 95.81 7.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.059 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.4 p -88.18 87.31 7.28 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.589 ' HB ' HG11 ' A' ' 55' ' ' VAL . 3.3 p -107.27 165.91 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.374 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 2.2 p -136.56 133.93 36.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.059 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.836 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -160.43 167.72 26.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.373 1.045 . . . . 0.0 109.173 -179.942 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.836 ' H ' HD13 ' A' ' 67' ' ' LEU . 11.1 t -105.27 142.84 34.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.37 1.044 . . . . 0.0 110.402 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.597 HG11 ' CA ' ' A' ' 12' ' ' GLY . 60.8 t -88.88 87.22 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.522 ' NH1' ' HB2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -88.94 126.84 35.57 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.616 1.198 . . . . 0.0 110.378 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.408 ' C ' HH12 ' A' ' 70' ' ' ARG . 2.1 tmm_? -93.33 -37.0 12.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 0.0 110.165 -179.816 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 2.4 m -106.02 125.27 50.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CD2' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 174.92 161.99 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.913 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 2.6 tp10 -83.14 125.17 31.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.207 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.404 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -94.09 170.92 30.75 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.458 1.098 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.489 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -130.36 126.3 36.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 0.0 110.988 -179.934 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 83' ' ' TRP . 4.9 mt -62.02 157.14 19.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.394 1.059 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -75.17 -29.43 60.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 111.018 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -54.59 -56.36 19.81 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.58 -26.79 0.24 Allowed Glycine 0 CA--C 1.532 1.122 0 O-C-N 124.476 1.11 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m -83.73 149.35 26.52 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 0.781 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 8.9 mtt-85 -86.05 144.67 27.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 110.363 179.871 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.607 ' CE3' ' OD1' ' A' ' 41' ' ' ASP . 44.5 t-105 -104.74 -90.52 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.518 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 146.86 -75.8 0.28 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.518 1.136 . . . . 0.0 111.093 -179.92 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' THR . . . . . 1.059 ' OG1' HG22 ' A' ' 40' ' ' VAL . 17.0 m 69.22 -55.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 0.726 . . . . 0.0 110.318 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.501 ' HB ' ' O ' ' A' ' 85' ' ' THR . 65.8 t 73.03 -100.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.426 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -60.69 117.59 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 9.2 t -91.07 40.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.373 1.046 . . . . 0.0 108.193 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.6 t -90.06 -24.1 21.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 110.399 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.7 m -89.57 -57.92 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HA ' ' CH2' ' A' ' 39' ' ' TRP . . . -90.31 137.38 32.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.539 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -82.04 127.84 33.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.387 1.054 . . . . 0.0 109.21 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 122.07 33.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.072 . . . . 0.0 108.285 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.579 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 21.4 mt-30 -102.98 117.5 34.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.538 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.3 t -86.3 116.81 29.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.342 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -156.49 168.07 33.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.904 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.859 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -105.96 127.01 52.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.579 0.811 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 32' ' ' TYR . 21.5 t -95.65 145.95 24.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.958 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -96.83 159.61 14.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.38 -3.58 37.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.88 -19.25 26.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.0 42.36 25.03 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 0.4 OUTLIER -94.72 137.1 34.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.82 97.68 0.01 OUTLIER Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.561 1.163 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.3 Cg_endo -75.02 139.32 24.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.565 1.824 . . . . 0.0 110.983 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.83 107.49 19.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -99.5 153.71 19.65 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.418 1.074 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 95' ' ' VAL . 9.6 p -105.39 114.52 45.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.6 0.824 . . . . 0.0 109.257 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.98 93.97 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.677 HD13 HG21 ' A' ' 7' ' ' VAL . 3.0 tp -70.89 145.0 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.656 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.155 . . . . 0.0 109.945 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.427 ' O ' HG23 ' A' ' 6' ' ' THR . 18.8 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 111.073 -0.395 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.604 ' HB ' HD22 ' A' ' 26' ' ' LEU . 10.1 p 36.34 -135.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.47 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.6 ' HB2' HD21 ' A' ' 97' ' ' LEU . . . -86.58 113.14 22.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -141.58 147.76 38.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.57 1.169 . . . . 0.0 110.489 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.98 HG12 ' HD2' ' A' ' 9' ' ' PRO . 4.5 t -80.53 133.35 29.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.586 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.81 -60.73 0.44 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 110.415 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.98 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.9 Cg_endo -74.96 -159.79 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.781 . . . . 0.0 111.038 179.87 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.744 ' HA ' HD11 ' A' ' 110' ' ' ILE . 18.5 m -151.79 -64.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.0 164.09 14.95 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.113 . . . . 0.0 110.033 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.01 25.02 53.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.09 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.002 HD12 HG23 ' A' ' 110' ' ' ILE . 4.3 mt -79.08 152.75 30.66 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.465 0.744 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.4 t -126.01 150.56 48.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.427 ' CB ' ' HB2' ' A' ' 72' ' ' SER . 0.3 OUTLIER -55.65 81.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.395 1.059 . . . . 0.0 109.382 179.927 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 125.55 35.32 0.61 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.456 ' O ' ' HA ' ' A' ' 68' ' ' THR . 83.9 m -85.78 105.2 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 0.752 . . . . 0.0 110.304 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -73.38 118.62 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.803 HG11 ' CG ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -144.91 176.85 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.61 1.193 . . . . 0.0 109.141 -179.875 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -114.45 127.63 55.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.631 HG22 HG22 ' A' ' 7' ' ' VAL . 53.0 t -101.51 107.45 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.21 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.15 128.44 35.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.577 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -106.38 93.18 0.85 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.535 1.147 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.4 104.5 17.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 0.792 . . . . 0.0 109.23 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.36 30.42 27.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.629 HD12 ' H ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.66 -141.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.347 179.864 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.998 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 19.0 mm-40 -52.42 90.81 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.564 1.165 . . . . 0.0 110.322 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.02 84.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 76.99 5.06 84.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.573 1.17 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.515 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -90.0 -175.81 4.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 0.769 . . . . 0.0 110.399 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.77 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -144.11 115.54 8.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.606 ' CE1' ' OE1' ' A' ' 27' ' ' GLN . 4.6 m-30 -115.52 -168.89 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.432 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 37.1 t70 -115.58 111.84 21.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.705 1.253 . . . . 0.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.729 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -76.39 138.68 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.643 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 179.6 153.69 12.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.523 ' CG ' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.12 96.01 9.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.759 . . . . 0.0 110.279 -179.92 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.622 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 11.8 t -107.36 164.09 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 108.351 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 167.57 159.22 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.578 1.174 . . . . 0.0 109.241 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.499 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 28.8 p90 -74.15 118.81 17.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 107.988 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.057 HG11 ' CG ' ' A' ' 83' ' ' TRP . 1.2 p -108.61 -36.14 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.411 179.908 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -90.38 -175.41 4.47 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 44' ' ' VAL . 17.1 m -54.47 84.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.367 -179.892 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 59.95 18.01 45.77 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.509 1.131 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.959 ' CG1' HD23 ' A' ' 77' ' ' LEU . 9.6 t -93.97 122.67 45.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.401 0.706 . . . . 0.0 109.247 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 13.8 tp -77.32 112.21 13.79 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.387 1.054 . . . . 0.0 109.38 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.465 ' HB2' ' HG ' ' A' ' 77' ' ' LEU . . . -125.21 140.75 52.58 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.609 1.193 . . . . 0.0 109.361 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.9 m -110.52 150.44 28.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 108.417 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.575 ' CG ' ' CZ ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -78.15 168.28 28.79 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.594 1.184 . . . . 0.0 109.343 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.557 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.8 Cg_endo -74.99 -9.55 20.83 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.17 16.66 23.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.643 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -87.5 6.25 35.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 109.214 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.557 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -107.98 96.43 6.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 110.907 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.442 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -150.06 84.56 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.041 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.553 ' O ' HG23 ' A' ' 55' ' ' VAL . 91.3 p -38.48 144.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.946 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 54' ' ' SER . 2.7 t -155.93 153.38 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.77 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -139.19 141.67 37.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.468 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.998 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -105.97 142.61 35.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -64.68 158.06 25.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.65 -28.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.425 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' C ' ' A' ' 58' ' ' ASP . 19.0 t30 -87.67 33.23 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.15 41.55 4.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.12 100.17 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 0.712 . . . . 0.0 110.019 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.962 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -103.04 82.46 2.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.0 p -88.81 83.16 6.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.368 1.042 . . . . 0.0 109.945 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.524 HG21 HG21 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -106.96 163.02 13.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.395 179.929 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.5 p -135.35 134.56 39.93 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.956 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.885 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -158.73 172.23 18.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.885 ' H ' HD13 ' A' ' 67' ' ' LEU . 14.3 t -106.17 140.75 38.65 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.564 1.165 . . . . 0.0 110.513 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.593 HG21 HD13 ' A' ' 13' ' ' LEU . 9.3 t -88.24 87.51 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.673 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -88.29 65.45 8.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.338 1.024 . . . . 0.0 110.351 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.542 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 5.7 ttp85 -39.15 -28.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 86' ' ' VAL . 4.2 m -93.79 137.11 33.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 110.061 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.673 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 161.44 175.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.373 1.046 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.593 ' HA ' ' HA2' ' A' ' 84' ' ' GLY . 4.5 tp10 -92.98 103.94 16.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.653 ' HA3' ' CE3' ' A' ' 83' ' ' TRP . . . -80.33 166.47 49.68 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.524 1.14 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -146.37 145.66 30.37 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.512 0.772 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.959 HD23 ' CG1' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -91.25 145.77 24.38 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.196 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -83.92 -11.68 56.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -43.09 57.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 154.64 -24.64 0.65 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.406 1.066 . . . . 0.0 111.092 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.881 ' HB ' HD22 ' A' ' 77' ' ' LEU . 22.6 m -76.16 168.51 19.91 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 0.747 . . . . 0.0 110.3 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.537 ' C ' HD13 ' A' ' 77' ' ' LEU . 9.2 ptp180 -109.53 142.02 41.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 1.057 ' CG ' HG11 ' A' ' 40' ' ' VAL . 1.5 t90 -97.15 -86.23 0.34 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.593 ' HA2' ' HA ' ' A' ' 74' ' ' GLU . . . 83.57 -114.71 3.92 Favored Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.552 1.158 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.738 ' C ' HG23 ' A' ' 86' ' ' VAL . 26.7 m 82.81 -54.06 0.18 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.462 0.742 . . . . 0.0 110.463 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.738 HG23 ' C ' ' A' ' 85' ' ' THR . 2.8 t 85.79 -15.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -144.53 111.29 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 7.9 t -91.79 66.48 5.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.606 1.191 . . . . 0.0 108.329 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 t -104.17 -15.48 15.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 91' ' ' ALA . 9.7 t -89.34 -54.77 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 110.372 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.734 ' HB3' HG23 ' A' ' 40' ' ' VAL . . . -90.46 155.2 19.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -88.22 118.68 27.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.604 1.19 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.01 124.27 35.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.365 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.487 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -105.43 123.33 47.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.608 1.193 . . . . 0.0 110.273 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.523 HG13 ' CG ' ' A' ' 36' ' ' GLN . 1.9 t -89.41 132.04 35.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 179.15 172.45 43.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.729 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -107.35 136.25 47.48 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.928 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.8 p -106.08 159.09 16.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.603 1.189 . . . . 0.0 110.084 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.586 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -69.14 161.22 29.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.891 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.03 -5.02 58.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.4 -84.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -177.81 35.92 0.08 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.578 1.174 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 61.8 m-80 -148.94 163.89 36.16 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.476 0.751 . . . . 0.0 109.407 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 164.58 81.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.81 -6.44 18.15 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.5 145.83 41.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 143.37 130.62 2.42 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.501 1.125 . . . . 0.0 111.131 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 4.2 p -106.03 134.61 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.386 0.698 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.79 93.97 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 1.002 HG23 HD12 ' A' ' 13' ' ' LEU . 1.1 tp -102.74 144.98 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.051 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.725 ' HG2' HG21 ' A' ' 6' ' ' THR . 17.9 Cg_endo . . . . . 0 N--CA 1.455 -0.767 0 N-CA-C 110.91 -0.458 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.435 ' HG1' ' C ' ' A' ' 3' ' ' PRO . 73.5 p 46.66 -124.5 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.727 ' HB2' HD23 ' A' ' 26' ' ' LEU . . . -83.49 122.44 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.725 HG21 ' HG2' ' A' ' 3' ' ' PRO . 1.1 p -144.01 146.94 33.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.11 . . . . 0.0 110.384 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.632 HG13 ' HD2' ' A' ' 9' ' ' PRO . 2.3 t -87.62 115.31 27.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.659 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -38.22 -64.35 0.46 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.659 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.03 -155.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.434 1.755 . . . . 0.0 111.031 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.519 ' OG ' ' CD2' ' A' ' 13' ' ' LEU . 95.6 p -104.79 -24.77 12.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.541 1.151 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.75 ' OG ' HG11 ' A' ' 19' ' ' VAL . 0.5 OUTLIER 48.92 -179.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.893 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.18 -46.64 3.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.519 ' CD2' ' OG ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -42.96 -34.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.553 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -129.17 116.61 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.94 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.493 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 14.5 p-10 -59.06 78.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.07 . . . . 0.0 109.274 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.616 ' C ' HG23 ' A' ' 68' ' ' THR . . . 128.04 40.5 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.478 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 24.0 m -87.82 121.84 30.73 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.474 0.749 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.01 122.47 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.75 HG11 ' OG ' ' A' ' 11' ' ' SER . 1.2 m -136.35 175.87 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.359 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -118.44 116.02 25.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.362 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.424 HG22 ' CG2' ' A' ' 7' ' ' VAL . 80.5 t -90.7 100.18 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.17 124.23 33.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -103.58 107.2 2.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.35 98.82 8.55 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.495 0.762 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.57 39.98 20.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.918 ' HG ' HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -88.93 -122.04 0.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 109.374 179.938 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.815 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 25.4 mm-40 -38.89 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.547 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 61.9 26.06 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 124.91 -15.43 7.42 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.467 1.104 . . . . 0.0 110.954 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.55 ' CA ' ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -83.46 -166.48 1.39 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 0.816 . . . . 0.0 110.418 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.972 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -150.73 148.69 28.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.637 1.211 . . . . 0.0 109.218 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.806 ' CD2' ' NE2' ' A' ' 27' ' ' GLN . 2.6 m-30 -150.15 -172.19 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.456 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -100.71 113.49 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.911 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.64 HG23 HG11 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -82.04 139.84 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 -179.956 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.602 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 171.86 160.48 20.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.365 1.041 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.54 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.6 OUTLIER -92.04 101.49 14.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.288 -179.927 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.499 ' SG ' ' CD1' ' A' ' 45' ' ' LEU . 2.7 t -106.4 153.55 22.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 108.251 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -179.49 159.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.363 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.582 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 20.0 m-90 -67.72 112.34 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 108.006 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.645 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -101.96 -49.8 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.91 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.594 ' OD2' HG21 ' A' ' 44' ' ' VAL . 1.1 t70 -91.09 169.32 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.575 ' O ' ' CG2' ' A' ' 42' ' ' THR . 1.5 t -35.25 102.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.474 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.87 26.37 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.734 ' CG1' HD12 ' A' ' 77' ' ' LEU . 2.1 t -101.89 122.84 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.577 0.81 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -74.73 109.44 8.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.487 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -121.39 141.69 50.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.403 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.7 m -104.89 158.64 16.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.374 1.046 . . . . 0.0 108.282 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.461 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 4.9 m-20 -82.54 164.97 44.85 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.605 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.02 -15.16 20.85 Favored 'Trans proline' 0 C--N 1.362 1.27 0 O-C-N 124.477 1.778 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.631 ' HB2' HH11 ' A' ' 70' ' ' ARG . . . -105.47 12.81 31.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 109.213 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.603 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -89.32 11.49 18.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.585 1.178 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -105.75 87.81 2.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.354 1.034 . . . . 0.0 110.947 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.498 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -147.64 86.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.904 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -36.76 151.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.043 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.671 HG23 ' HB ' ' A' ' 65' ' ' THR . 14.7 p -155.06 156.38 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.972 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -146.26 131.0 17.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.382 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.815 ' HB3' ' HB2' ' A' ' 27' ' ' GLN . . . -93.31 122.89 36.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.204 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 61' ' ' GLY . 1.3 m-20 -50.56 165.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.377 1.048 . . . . 0.0 109.3 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.77 -42.29 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.391 1.057 . . . . 0.0 109.318 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -86.75 38.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.2 39.34 3.99 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -94.43 90.25 6.16 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.438 0.728 . . . . 0.0 110.024 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.705 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.14 80.34 1.5 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.6 1.188 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -93.96 80.31 4.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.397 1.061 . . . . 0.0 110.004 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.671 ' HB ' HG23 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -107.99 131.73 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.358 1.036 . . . . 0.0 110.356 -179.941 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 10.8 p -102.36 137.68 40.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.428 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -154.54 178.21 10.33 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.406 1.066 . . . . 0.0 109.344 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.645 HG22 ' HG3' ' A' ' 70' ' ' ARG . 4.4 m -103.85 127.94 51.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.445 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.694 HG11 HG12 ' A' ' 110' ' ' ILE . 25.2 t -88.88 88.89 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.645 ' HG3' HG22 ' A' ' 68' ' ' THR . 0.8 OUTLIER -92.73 95.19 9.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.241 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -62.73 -39.02 92.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.505 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -87.98 130.32 34.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.925 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 163.44 173.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.394 1.059 . . . . 0.0 110.935 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.573 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 1.1 tp10 -80.76 118.28 22.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.07 161.65 28.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.573 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 2.2 m-85 -135.86 138.35 42.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.032 HD23 HG23 ' A' ' 81' ' ' THR . 0.4 OUTLIER -72.1 153.07 41.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -78.71 -22.36 46.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.4 -52.36 65.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.44 -27.83 0.21 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' THR . . . . . 1.032 HG23 HD23 ' A' ' 77' ' ' LEU . 1.6 t -85.18 174.51 9.6 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.396 0.703 . . . . 0.0 110.352 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.477 ' C ' HD22 ' A' ' 77' ' ' LEU . 11.2 ptt180 -117.34 150.5 38.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.757 ' HB2' HD11 ' A' ' 77' ' ' LEU . 36.3 t-105 -105.8 -87.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.588 1.18 . . . . 0.0 108.04 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 138.0 -101.73 0.34 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.494 1.121 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.932 ' O ' HG22 ' A' ' 86' ' ' VAL . 1.9 m 86.91 -61.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 0.752 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.932 HG22 ' O ' ' A' ' 85' ' ' THR . 0.8 OUTLIER 79.36 -18.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.219 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.467 ' H ' ' C ' ' A' ' 85' ' ' THR . 0.6 OUTLIER -141.97 104.3 4.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.607 1.192 . . . . 0.0 109.373 179.859 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 39.4 t -89.29 48.58 1.63 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.455 1.097 . . . . 0.0 108.273 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.6 t -91.85 -15.34 28.33 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.8 m -88.08 -53.16 4.86 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.598 1.186 . . . . 0.0 110.411 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -90.86 134.65 34.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -68.57 113.5 6.15 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.418 1.074 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.402 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -86.94 123.05 31.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 108.316 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.54 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 1.3 pt20 -104.98 122.48 45.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.631 ' O ' HG12 ' A' ' 108' ' ' VAL . 5.5 t -85.69 112.07 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.44 177.39 37.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.918 HD11 ' HG ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -106.62 126.02 51.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.364 179.898 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.3 p -86.47 155.24 20.61 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.482 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -79.04 159.92 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.0 109.262 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.62 11.29 15.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.391 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.14 -74.07 0.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.389 1.056 . . . . 0.0 109.344 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 159.63 47.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.415 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 15.6 m-80 -121.26 161.85 21.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.272 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.67 98.58 1.08 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 -163.34 0.18 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.452 1.764 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.2 137.03 32.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.349 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -130.59 160.32 23.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.586 1.179 . . . . 0.0 111.065 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 95' ' ' VAL . 10.8 p -94.93 117.69 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.563 0.802 . . . . 0.0 109.246 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.43 92.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.694 HG12 HG11 ' A' ' 69' ' ' VAL . 1.0 OUTLIER -75.11 161.66 4.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.58 1.175 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.003 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.601 ' C ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.972 -0.434 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.601 HG23 ' C ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 52.37 177.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.716 ' H ' HD23 ' A' ' 26' ' ' LEU . . . -44.86 132.77 6.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.398 1.061 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.466 HG22 ' CG2' ' A' ' 108' ' ' VAL . 1.1 p -150.74 144.98 25.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.993 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.4 t -82.86 127.67 39.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.524 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -38.47 -57.84 1.75 Allowed Pre-proline 0 C--N 1.328 -0.366 0 O-C-N 124.529 1.143 . . . . 0.0 110.439 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.993 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -75.03 -161.61 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.783 . . . . 0.0 110.981 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.647 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -141.79 -47.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -68.87 64.61 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.94 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.736 ' CA ' HD12 ' A' ' 110' ' ' ILE . . . -48.02 -20.42 1.32 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.893 ' O ' HD12 ' A' ' 13' ' ' LEU . 3.7 pp -65.93 66.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.391 0.701 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -140.76 123.22 15.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.158 179.954 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 14' ' ' SER . 5.8 p-10 -35.57 93.82 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.445 1.09 . . . . 0.0 109.229 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 42.44 68.83 0.68 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.653 1.22 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.501 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -74.47 123.07 24.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 0.773 . . . . 0.0 110.488 179.867 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -97.1 124.2 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.221 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.928 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -149.96 -169.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.889 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -104.25 141.86 35.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.339 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 6' ' ' THR . 59.3 t -118.0 91.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.06 131.54 37.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.529 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -128.55 102.68 0.58 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.39 115.12 24.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 0.812 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.66 34.96 29.95 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.422 1.077 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.716 HD23 ' H ' ' A' ' 5' ' ' ALA . 1.5 tm? -74.56 -99.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 109.143 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.597 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -83.78 10.94 8.29 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 74.56 -3.19 2.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.398 1.062 . . . . 0.0 109.265 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 124.83 -2.28 8.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.595 1.184 . . . . 0.0 111.011 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.617 HG22 ' H ' ' A' ' 31' ' ' ALA . 2.9 m -61.03 -154.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.42 0.718 . . . . 0.0 110.428 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.642 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -138.68 110.32 7.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.65 1.219 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.597 ' CE2' ' HG2' ' A' ' 27' ' ' GLN . 2.8 m-30 -119.87 -172.81 2.41 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.5 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 94.8 m-20 -111.17 114.58 27.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.839 HG21 HG21 ' A' ' 65' ' ' THR . 1.3 t -76.72 137.71 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.407 1.067 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.62 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 177.91 153.39 11.11 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.423 1.077 . . . . 0.0 111.067 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.58 ' HB2' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -93.09 95.66 9.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 0.0 110.384 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 6.2 t -105.0 156.88 17.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 108.31 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.53 ' HB2' ' H ' ' A' ' 94' ' ' GLN . . . 176.26 163.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 41.4 p-90 -71.18 117.41 12.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 108.025 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' A' ' 46' ' ' ALA . 4.4 p -102.54 -48.69 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.203 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.7 ' HB2' HD21 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -85.31 -160.21 0.49 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.571 1.169 . . . . 0.0 109.31 -179.9 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.9 m -66.52 80.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.05 10.36 56.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.697 ' CG1' HD22 ' A' ' 77' ' ' LEU . 9.7 t -84.57 111.99 21.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.738 . . . . 0.0 109.379 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mt -67.45 107.73 2.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.258 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.71 ' HB2' HD23 ' A' ' 77' ' ' LEU . . . -121.83 143.38 49.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.0 m -109.21 152.03 25.72 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.479 1.112 . . . . 0.0 108.303 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.58 ' ND2' ' HB2' ' A' ' 36' ' ' GLN . 0.4 OUTLIER -77.91 171.94 11.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.231 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.601 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.03 -12.3 21.45 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 110.949 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.28 18.29 21.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.62 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 3.0 t70 -88.34 5.07 43.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -107.89 95.08 5.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.584 1.177 . . . . 0.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.419 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 13.6 t -146.62 80.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.971 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 99.6 p -46.42 134.13 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.185 . . . . 0.0 110.049 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.811 HG21 ' HB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -159.56 164.94 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 O-C-N 124.448 1.093 . . . . 0.0 109.379 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.642 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -132.65 158.2 42.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.337 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.451 ' O ' ' HA2' ' A' ' 29' ' ' GLY . . . -102.05 151.84 21.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.632 ' O ' ' N ' ' A' ' 61' ' ' GLY . 1.3 m-20 -68.61 162.81 25.1 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.637 1.211 . . . . 0.0 109.216 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.1 -40.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.391 1.057 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -87.24 38.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.53 43.67 3.92 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 74.9 m -105.28 100.64 10.22 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.496 0.762 . . . . 0.0 110.024 179.884 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -99.65 97.61 8.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.4 p -105.77 76.83 1.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.839 HG21 HG21 ' A' ' 34' ' ' VAL . 8.1 t -109.45 139.53 44.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.426 1.079 . . . . 0.0 110.367 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.0 p -89.7 134.03 34.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.731 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -144.04 165.99 26.23 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 109.214 -179.867 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.81 HG23 ' HG2' ' A' ' 70' ' ' ARG . 13.5 t -105.84 144.33 32.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.397 1.061 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.503 HG11 ' CA ' ' A' ' 12' ' ' GLY . 93.5 t -89.82 85.28 2.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 O-C-N 124.475 1.11 . . . . 0.0 109.162 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.81 ' HG2' HG23 ' A' ' 68' ' ' THR . 0.9 OUTLIER -88.01 75.51 8.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.677 1.236 . . . . 0.0 110.336 179.909 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.515 ' CG ' ' CB ' ' A' ' 88' ' ' CYS . 16.6 ttp85 -53.37 -31.0 42.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.334 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.667 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 86.9 p -106.63 129.68 54.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.597 1.186 . . . . 0.0 109.999 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.667 ' CD1' ' O ' ' A' ' 72' ' ' SER . 0.5 OUTLIER 158.92 126.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.382 1.051 . . . . 0.0 110.975 179.857 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.9 ' HA ' HG23 ' A' ' 86' ' ' VAL . 0.7 OUTLIER -75.3 113.05 12.22 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -103.9 -148.25 18.83 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.426 1.079 . . . . 0.0 110.97 -179.877 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 7.7 m-85 -126.95 151.11 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.792 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.71 HD23 ' HB2' ' A' ' 46' ' ' ALA . 1.8 mt -90.29 171.31 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.587 ' CD1' HG13 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -57.51 -29.19 64.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.563 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 7.8 t70 -73.28 -62.66 1.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.429 ' O ' ' CD2' ' A' ' 76' ' ' PHE . . . 166.48 -28.61 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.426 1.079 . . . . 0.0 111.0 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 76' ' ' PHE . 84.2 m -39.58 154.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 0.772 . . . . 0.0 110.332 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.53 72.28 3.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.066 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.687 ' O ' ' N ' ' A' ' 75' ' ' GLY . 1.9 t90 -112.2 -83.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.66 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 53.06 139.61 0.0 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.425 1.078 . . . . 0.0 110.944 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.639 ' C ' ' O ' ' A' ' 84' ' ' GLY . 1.3 m 14.27 -81.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 0.749 . . . . 0.0 110.444 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.9 HG23 ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER 78.5 -53.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 124.452 1.095 . . . . 0.0 109.234 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.545 ' N ' HG12 ' A' ' 86' ' ' VAL . 7.0 t0 -151.43 87.22 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.515 ' CB ' ' CG ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -71.64 57.96 0.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 108.25 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.0 m -93.61 -4.61 50.46 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.453 1.096 . . . . 0.0 110.417 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.1 m -149.75 -44.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.447 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.74 133.34 39.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 109.36 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.29 126.71 32.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.36 125.65 36.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.53 ' H ' ' HB2' ' A' ' 38' ' ' ALA . 35.4 mt-30 -98.05 116.46 30.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 3.4 t -88.95 114.89 27.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.336 1.023 . . . . 0.0 109.259 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.85 170.98 39.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.701 HD21 ' HB2' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -105.48 122.0 45.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.348 0.675 . . . . 0.0 109.356 179.938 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.9 p -93.25 163.54 13.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 110.038 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -75.56 159.39 31.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.585 1.178 . . . . 0.0 109.376 179.896 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.15 9.75 14.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.39 -79.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 174.77 45.89 0.05 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -134.61 156.73 48.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 0.732 . . . . 0.0 109.375 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -126.04 111.2 1.4 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.397 1.061 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.83 -165.33 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.47 1.773 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.81 138.03 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -119.76 169.63 13.88 Favored Glycine 0 CA--C 1.528 0.883 0 O-C-N 124.489 1.118 . . . . 0.0 111.078 179.892 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.636 HG11 HG23 ' A' ' 7' ' ' VAL . 5.4 p -103.97 114.6 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.562 0.801 . . . . 0.0 109.237 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.64 91.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.345 1.028 . . . . 0.0 109.326 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.736 HD12 ' CA ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -96.65 127.37 48.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.203 -179.907 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.801 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.552 ' C ' HG23 ' A' ' 4' ' ' THR . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.552 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.4 p 60.44 -158.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 110.38 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.864 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . . . -66.57 119.31 11.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -141.5 144.82 34.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.779 HG12 ' HD2' ' A' ' 9' ' ' PRO . 1.7 t -83.53 137.91 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.182 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.45 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.62 -54.08 1.3 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.541 179.872 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.779 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.12 -157.14 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.473 1.776 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.421 ' N ' HD11 ' A' ' 110' ' ' ILE . 60.7 p -145.56 -67.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 -179.933 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.82 -179.55 5.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.058 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.32 52.84 49.18 Favored Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.961 HD12 HG11 ' A' ' 69' ' ' VAL . 28.2 mt -90.41 -178.93 5.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 0.733 . . . . 0.0 109.23 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.5 t -126.53 148.58 49.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 109.925 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -56.5 80.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.546 1.154 . . . . 0.0 109.391 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 117.72 40.84 0.69 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.514 1.133 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.675 HG21 HD22 ' A' ' 13' ' ' LEU . 35.4 m -80.32 107.39 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 0.795 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -81.76 123.77 38.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.526 HG11 ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -151.41 178.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.87 137.62 38.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 6' ' ' THR . 21.4 t -115.8 100.36 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.227 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.09 128.9 37.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.421 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -115.49 97.77 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.55 115.89 28.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.431 0.724 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.72 17.16 62.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.045 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.864 ' CD1' ' HB2' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -84.53 -147.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 0.736 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.852 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 60.4 mm-40 -46.16 89.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.96 84.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.604 1.19 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 74.91 7.63 81.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.599 1.187 . . . . 0.0 111.053 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.485 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.13 -178.39 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.4 0.706 . . . . 0.0 110.346 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.7 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -139.56 113.5 8.73 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.653 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.5 m-30 -115.76 -171.27 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -109.06 109.27 20.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.083 ' CG2' HD22 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -73.92 137.17 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.62 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 175.2 159.41 21.27 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.571 ' HB2' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -96.03 93.41 6.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 0.752 . . . . 0.0 110.291 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.713 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 4.7 t -106.82 164.36 12.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 108.279 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 161.63 172.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.436 ' CD1' ' O ' ' A' ' 39' ' ' TRP . 19.4 p90 -66.82 102.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 108.04 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 41' ' ' ASP . 2.7 m -85.6 -53.4 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.527 ' N ' ' CG2' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -90.27 -165.14 1.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.909 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.5 m -76.37 94.65 3.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.379 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.59 14.34 72.26 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.627 1.204 . . . . 0.0 111.071 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.469 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 8.8 t -104.79 107.98 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.208 -179.933 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.82 110.03 13.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.61 1.194 . . . . 0.0 109.367 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.57 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . . . -126.75 166.46 17.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.173 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.4 m -127.25 144.87 50.96 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.463 1.102 . . . . 0.0 108.153 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.571 ' ND2' ' HB2' ' A' ' 36' ' ' GLN . 1.8 m-20 -66.34 169.76 6.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.397 1.061 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.61 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.5 Cg_endo -74.92 -13.18 21.67 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.493 1.786 . . . . 0.0 111.102 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.37 15.88 25.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.097 . . . . 0.0 109.382 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.62 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -88.06 5.73 39.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.61 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -108.19 94.56 5.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 111.054 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.731 ' CB ' HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -148.57 84.25 1.48 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.883 -179.952 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.6 p -40.06 124.91 1.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.941 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.007 HG22 HG21 ' A' ' 65' ' ' THR . 2.2 t -138.46 156.06 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.7 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -139.44 143.55 37.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.429 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 1.066 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.85 142.54 36.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.622 1.201 . . . . 0.0 109.331 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.6 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -58.01 158.8 6.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.37 -30.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 58' ' ' ASP . 1.7 t-20 -88.64 35.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.181 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.62 42.34 3.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.102 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 3.4 m -106.71 97.87 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.958 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 1.066 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.43 88.16 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.369 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.4 p -97.48 75.2 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.076 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' THR . . . . . 1.007 HG21 HG22 ' A' ' 55' ' ' VAL . 28.2 m -108.56 140.01 42.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.397 1.061 . . . . 0.0 110.502 179.907 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.0 p -100.76 137.6 38.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.069 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.78 HD12 ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -150.09 174.19 13.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.408 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.514 HG23 ' HG2' ' A' ' 70' ' ' ARG . 14.6 t -105.95 134.21 49.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.961 HG11 HD12 ' A' ' 13' ' ' LEU . 35.1 t -88.15 92.54 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.551 ' H ' HE22 ' A' ' 36' ' ' GLN . 3.1 mmt180 -87.81 95.4 10.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 110.335 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.512 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 2.6 ttm180 -64.72 -36.69 85.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -101.26 122.43 43.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.042 179.928 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.529 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 168.73 135.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 83' ' ' TRP . 26.0 tt0 -91.06 108.35 19.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.635 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -97.75 -144.9 17.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.424 1.078 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.496 ' HA ' ' O ' ' A' ' 81' ' ' THR . 9.2 m-85 -135.68 144.19 45.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.611 HD11 ' CB ' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -93.11 -176.81 4.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -76.0 -23.8 55.25 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.595 1.184 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.88 -34.36 77.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.29 11.98 7.8 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.32 1.013 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' A' ' 76' ' ' PHE . 1.1 m -89.05 157.61 18.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 110.525 179.855 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 5.6 ptp180 -94.58 74.71 3.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.635 ' O ' ' N ' ' A' ' 75' ' ' GLY . 8.6 t-105 -112.35 -84.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 108.097 179.908 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.713 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 56.47 85.95 0.03 OUTLIER Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.542 1.151 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.779 ' C ' HG23 ' A' ' 86' ' ' VAL . 90.0 m 50.93 -74.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.599 0.823 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.779 HG23 ' C ' ' A' ' 85' ' ' THR . 2.8 t 87.14 -43.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 89' ' ' THR . 7.9 t0 -155.1 82.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.528 ' SG ' HG21 ' A' ' 85' ' ' THR . 0.1 OUTLIER -68.39 63.12 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 108.261 -179.91 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 87' ' ' ASP . 12.8 t -92.73 -8.29 44.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.432 1.082 . . . . 0.0 110.392 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.7 m -149.84 -45.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.07 143.29 48.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.11 114.07 26.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 0.0 109.215 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.18 128.16 37.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 108.344 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.426 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 35.6 mt-30 -97.49 116.72 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.238 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.63 ' CG2' HG22 ' A' ' 110' ' ' ILE . 2.5 t -88.98 112.56 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.571 1.169 . . . . 0.0 109.24 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.529 ' C ' HD23 ' A' ' 97' ' ' LEU . . . -163.85 175.88 39.96 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.6 1.187 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.083 HD22 ' CG2' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -106.12 134.72 48.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 83.5 p -106.43 145.22 32.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.929 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.592 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -50.62 163.09 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.639 1.212 . . . . 0.0 109.403 179.942 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.63 -4.52 34.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.638 1.212 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.2 -21.03 19.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.908 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.4 47.74 2.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.426 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 12.9 m120 -147.58 160.44 42.64 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.509 0.77 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.09 105.49 3.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 111.042 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 52.12 3.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.448 1.762 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.75 132.93 35.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.348 179.905 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 151.25 142.42 3.52 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 110' ' ' ILE . 2.4 p -105.14 128.29 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.382 0.695 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.64 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.388 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.732 HG21 HG21 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -114.29 162.79 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 4.1 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.391 1.057 . . . . 0.0 109.948 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 4' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.045 -0.406 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.472 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 0.5 OUTLIER 43.63 -168.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 110.4 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.716 ' HB2' HD21 ' A' ' 97' ' ' LEU . . . -65.37 116.23 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.907 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -141.69 145.38 34.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 110.385 -179.935 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.775 HG13 HG21 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -88.16 122.72 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.929 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.779 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -37.46 -70.06 0.16 Allowed Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 124.483 1.114 . . . . 0.0 110.455 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.779 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.1 -152.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.601 1.843 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.513 ' O ' ' O ' ' A' ' 11' ' ' SER . 12.3 p -103.16 -32.02 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.963 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.65 ' HB3' HG11 ' A' ' 69' ' ' VAL . 0.5 OUTLIER 46.08 -179.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 109.947 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.67 -41.09 3.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -63.29 -20.12 65.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.428 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.544 ' HB3' ' OG1' ' A' ' 17' ' ' THR . 25.3 t -139.54 98.1 3.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 110.06 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.42 ' CG ' ' OG ' ' A' ' 72' ' ' SER . 4.3 p30 -54.92 102.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 109.326 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.467 ' HA2' ' CD ' ' A' ' 70' ' ' ARG . . . 122.44 21.19 2.79 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.585 1.178 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.544 ' OG1' ' HB3' ' A' ' 14' ' ' SER . 88.3 m -80.9 108.26 14.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.574 0.808 . . . . 0.0 110.414 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.78 118.65 22.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 109.286 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.775 HG21 HG13 ' A' ' 7' ' ' VAL . 1.3 m -138.72 -178.14 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.431 1.082 . . . . 0.0 109.215 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -113.71 128.83 56.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.344 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.555 HG22 HG23 ' A' ' 7' ' ' VAL . 46.5 t -103.79 100.2 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.21 119.64 29.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.472 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -110.31 81.4 0.29 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.47 1.106 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.16 123.85 28.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.436 0.727 . . . . 0.0 109.254 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 50.53 45.19 46.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.4 1.062 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.825 HD12 HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -87.88 -87.55 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.595 ' NE2' ' CD2' ' A' ' 32' ' ' TYR . 33.6 mm-40 -83.02 8.33 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 75.86 -10.48 1.27 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.445 1.09 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.682 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 129.56 -2.6 6.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.569 HG22 ' H ' ' A' ' 31' ' ' ALA . 2.1 m -57.8 -155.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.627 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -135.49 108.93 7.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.61 ' HB2' HD12 ' A' ' 97' ' ' LEU . 4.8 m-85 -120.46 164.1 16.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.558 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -88.87 112.97 23.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.416 1.073 . . . . 0.0 109.252 -179.916 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.904 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -79.19 140.34 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.424 1.078 . . . . 0.0 109.255 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.601 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 164.72 161.63 14.11 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.556 1.16 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.602 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.26 102.18 14.45 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.571 0.806 . . . . 0.0 110.37 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 4.7 t -108.15 154.61 21.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 108.357 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.604 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -178.62 168.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.214 -179.896 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.454 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 48.4 p90 -77.21 111.13 12.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 107.964 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.744 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -97.28 -47.58 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.604 ' OD1' ' CH2' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -87.53 -172.11 3.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.214 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.5 m -55.25 89.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 110.409 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 56.0 20.83 28.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.156 . . . . 0.0 111.079 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 42' ' ' THR . 50.7 t -96.62 115.53 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.284 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.0 107.04 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.382 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.549 ' HB2' HD13 ' A' ' 77' ' ' LEU . . . -120.47 134.59 55.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.216 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 19.5 m -95.98 157.65 15.8 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.428 1.08 . . . . 0.0 108.248 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.509 ' CB ' ' NE2' ' A' ' 36' ' ' GLN . 1.3 m-80 -83.86 167.81 25.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.178 -179.873 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.653 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.0 Cg_endo -75.0 -16.15 20.35 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.443 1.76 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.37 12.17 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.358 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.621 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -93.97 15.05 17.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.193 -179.889 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.653 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.9 m-85 -108.63 93.98 4.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.612 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -149.46 81.86 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.982 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.4 p -55.43 124.61 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.752 HG21 ' HB ' ' A' ' 65' ' ' THR . 4.2 p -148.68 158.75 6.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.368 1.043 . . . . 0.0 109.363 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.627 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -123.95 161.57 25.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 179.89 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.798 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -103.87 148.89 25.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.634 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.9 OUTLIER -63.83 161.85 14.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.347 1.029 . . . . 0.0 109.321 179.941 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.92 -35.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -88.56 37.23 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.634 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.35 41.01 2.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 57.3 m -107.34 96.32 6.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.798 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -104.62 90.78 3.61 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.364 1.04 . . . . 0.0 109.209 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.4 p -95.37 83.78 3.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.427 1.079 . . . . 0.0 110.005 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.878 HG21 HG21 ' A' ' 34' ' ' VAL . 14.7 t -108.46 133.93 51.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.639 1.212 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.9 p -101.01 139.51 36.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.948 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.542 HD11 ' CB ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -156.24 176.95 12.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.21 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 t -105.07 133.62 49.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.65 HG11 ' HB3' ' A' ' 11' ' ' SER . 80.3 t -90.07 85.75 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.229 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.467 ' CD ' ' HA2' ' A' ' 16' ' ' GLY . 11.9 mmt180 -93.79 78.57 4.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 110.218 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -48.65 -37.85 19.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.411 1.069 . . . . 0.0 110.345 179.797 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 78.5 p -86.33 130.12 34.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.085 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.536 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 162.14 171.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.641 1.213 . . . . 0.0 111.0 -179.931 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.604 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 7.8 tt0 -80.79 114.16 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.07 168.16 38.67 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.604 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 4.6 m-85 -141.05 129.95 23.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 0.715 . . . . 0.0 110.948 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.024 HD23 HG23 ' A' ' 81' ' ' THR . 0.9 OUTLIER -61.19 156.74 17.68 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.91 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.416 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 3.2 t80 -82.48 -20.11 37.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.621 1.201 . . . . 0.0 110.966 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.34 -51.89 66.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.54 -27.05 0.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 81' ' ' THR . . . . . 1.024 HG23 HD23 ' A' ' 77' ' ' LEU . 2.3 t -84.6 161.37 20.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 0.801 . . . . 0.0 110.428 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -103.94 150.7 23.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 110.222 -179.917 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.744 ' CD1' HG13 ' A' ' 40' ' ' VAL . 56.9 t-105 -106.14 -87.22 0.47 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.506 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 134.69 -83.64 0.28 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.82 HG22 ' H ' ' A' ' 87' ' ' ASP . 2.4 m 68.14 -60.53 0.41 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.768 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 85' ' ' THR . 16.3 t 78.18 -18.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.82 ' H ' HG22 ' A' ' 85' ' ' THR . 0.5 OUTLIER -139.73 99.7 3.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 93' ' ' CYS . 43.0 t -91.14 40.4 1.03 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.511 1.132 . . . . 0.0 108.199 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.3 t -88.59 -12.87 41.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.375 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.8 m -89.13 -50.06 6.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.458 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.454 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -91.34 135.55 33.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.9 110.2 3.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.604 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -89.06 124.21 34.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 108.35 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 4.2 pt20 -104.79 121.96 44.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.602 HG22 ' HB3' ' A' ' 36' ' ' GLN . 1.5 t -89.18 113.06 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -162.38 175.18 38.85 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.411 1.069 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.904 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -106.8 125.91 51.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.378 0.693 . . . . 0.0 109.262 -179.936 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.508 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 29.0 t -104.35 168.33 9.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.163 . . . . 0.0 109.951 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.536 ' OD1' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -100.08 161.35 13.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.399 179.921 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.05 20.28 4.39 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.658 1.224 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.84 -36.83 6.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.379 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.81 53.4 0.81 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.592 1.183 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 105' ' ' PRO . 7.2 m120 -115.12 136.87 52.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.368 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -32.3 93.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.598 1.186 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.496 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 18.2 Cg_endo -74.98 133.03 16.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.09 147.69 23.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.283 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -157.62 165.0 33.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.072 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.717 HG13 HD13 ' A' ' 110' ' ' ILE . 7.5 p -95.99 127.01 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 109.419 179.847 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.42 91.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.597 1.185 . . . . 0.0 109.213 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.717 HD13 HG13 ' A' ' 108' ' ' VAL . 0.8 OUTLIER -75.01 154.42 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.373 179.886 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.496 ' O ' ' O ' ' A' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.402 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.84 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.456 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.0 OUTLIER 43.84 -166.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 110.368 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.647 ' CB ' HD11 ' A' ' 97' ' ' LEU . . . -70.46 119.64 14.92 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.45 145.83 37.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 -179.853 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.829 HG11 HD12 ' A' ' 110' ' ' ILE . 3.2 t -88.88 112.01 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 109.336 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.691 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -49.48 -66.3 0.64 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 -179.933 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.691 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.99 59.72 5.26 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.552 1.817 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 111' ' ' SER . 11.1 p -89.53 28.32 1.31 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.379 1.049 . . . . 0.0 109.973 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 12' ' ' GLY . 26.2 t -114.63 133.6 55.71 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.59 1.181 . . . . 0.0 109.925 -179.874 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 11' ' ' SER . . . 32.78 53.82 0.49 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.663 HD13 HG12 ' A' ' 69' ' ' VAL . 0.9 OUTLIER -44.74 161.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 109.257 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.536 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -128.87 147.82 50.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 110.102 179.933 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.441 ' OD2' ' NH2' ' A' ' 71' ' ' ARG . 5.0 m-20 -50.79 89.72 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.632 1.208 . . . . 0.0 109.228 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.622 ' HA2' HG22 ' A' ' 68' ' ' THR . . . 91.84 50.71 2.62 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.597 HG22 ' CG1' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -90.93 125.66 35.83 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.574 0.809 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.428 ' H ' HG23 ' A' ' 18' ' ' VAL . 1.5 t -73.23 104.2 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.825 ' HB ' HG13 ' A' ' 7' ' ' VAL . 3.8 m -111.93 169.06 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.605 1.191 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.26 115.9 25.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.515 ' CG1' ' HB1' ' A' ' 5' ' ' ALA . 27.3 t -89.87 94.28 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -88.66 117.83 27.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.322 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.456 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -99.81 113.99 4.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.448 1.093 . . . . 0.0 111.066 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 3' ' ' PRO . . . -102.88 103.4 13.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 0.816 . . . . 0.0 109.237 -179.895 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.3 34.23 89.36 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.888 HD21 HD21 ' A' ' 97' ' ' LEU . 7.7 tp -77.29 -110.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 0.786 . . . . 0.0 109.266 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.823 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -45.05 -24.61 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.472 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 63.88 24.53 13.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.907 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 119.1 -10.36 11.89 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.617 1.198 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.464 ' CA ' ' HB3' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -84.14 -161.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 0.804 . . . . 0.0 110.3 -179.901 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.594 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -148.34 153.31 38.44 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.604 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 12.9 m-85 -150.74 -169.99 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.497 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -108.46 107.22 17.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.156 -179.955 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.575 HG23 HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -76.04 141.25 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.226 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.613 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 175.36 156.05 13.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.922 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.655 HE21 ' HA ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -93.13 95.03 9.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.315 -179.914 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 4.6 t -105.43 156.9 17.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 108.266 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 175.1 163.84 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.37 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.6 p90 -71.85 116.39 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 108.079 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.458 HG12 ' HB3' ' A' ' 46' ' ' ALA . 8.5 p -100.31 -49.1 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.525 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -82.4 -159.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.919 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.4 m -79.01 88.2 4.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.39 23.02 75.07 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.793 ' CG1' HD22 ' A' ' 77' ' ' LEU . 4.0 t -106.21 111.3 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.784 . . . . 0.0 109.276 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mt -71.87 109.77 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.835 ' HB2' HD23 ' A' ' 77' ' ' LEU . . . -124.65 144.92 49.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.5 m -110.51 151.59 27.39 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.443 1.089 . . . . 0.0 108.307 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.599 ' ND2' ' HB2' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -77.49 171.22 13.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.617 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.9 -12.46 21.74 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.554 1.818 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.6 16.18 25.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.613 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.7 t70 -87.36 6.66 32.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.617 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -108.57 94.89 5.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 -179.946 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.713 ' CB ' HD21 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -150.97 84.14 1.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 p -40.69 131.07 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 0.0 109.959 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.575 HG11 HG23 ' A' ' 34' ' ' VAL . 12.1 p -127.04 162.22 32.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.78 134.58 22.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 1.032 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.39 135.65 47.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.339 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -60.44 161.41 7.47 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.615 1.197 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.22 -35.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -88.19 37.03 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.19 36.94 2.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -94.97 92.72 7.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 0.796 . . . . 0.0 109.954 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 1.032 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.88 78.3 1.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.0 p -94.91 75.9 3.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.613 1.196 . . . . 0.0 110.095 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.471 ' CB ' HG23 ' A' ' 55' ' ' VAL . 1.8 m -109.24 131.0 55.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.48 ' O ' HD12 ' A' ' 67' ' ' LEU . 39.9 p -95.3 142.88 27.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.388 1.055 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.713 HD21 ' CB ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -146.32 179.92 7.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.622 HG22 ' HA2' ' A' ' 16' ' ' GLY . 34.2 m -104.63 129.24 52.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.328 1.018 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.663 HG12 HD13 ' A' ' 13' ' ' LEU . 9.9 t -88.1 90.38 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.356 1.035 . . . . 0.0 109.392 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.638 ' H ' HE22 ' A' ' 36' ' ' GLN . 10.2 mmt180 -89.3 118.38 28.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.585 ' HB2' HD11 ' A' ' 13' ' ' LEU . 9.9 ttp180 -87.25 -32.59 19.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 83.2 p -103.42 121.0 41.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.896 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.472 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 165.49 128.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.891 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.814 ' HA ' HG23 ' A' ' 86' ' ' VAL . 0.8 OUTLIER -74.76 115.09 13.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.626 1.204 . . . . 0.0 110.244 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.714 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -100.38 -153.49 26.95 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.492 ' CZ ' ' HG3' ' A' ' 82' ' ' ARG . 70.3 m-85 -127.5 146.27 50.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.353 0.678 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.89 HD12 HG23 ' A' ' 81' ' ' THR . 5.2 mt -88.64 179.93 6.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.608 1.192 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -71.76 -22.63 61.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.77 -62.39 1.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.42 -24.72 0.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.89 HG23 HD12 ' A' ' 77' ' ' LEU . 2.1 t -52.01 155.81 1.74 Allowed 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.417 0.716 . . . . 0.0 110.424 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.492 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 2.0 ttt180 -95.42 78.6 3.41 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.502 1.126 . . . . 0.0 110.363 179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.714 ' O ' ' N ' ' A' ' 75' ' ' GLY . 4.0 t-105 -114.06 -84.81 0.6 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.655 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 51.19 144.21 0.0 OUTLIER Glycine 0 CA--C 1.532 1.126 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.655 ' C ' ' O ' ' A' ' 84' ' ' GLY . 1.3 m 12.25 -83.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.592 0.819 . . . . 0.0 110.431 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.814 HG23 ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER 81.74 -50.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.193 . . . . 0.0 109.31 -179.926 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 89' ' ' THR . 8.4 t0 -151.49 80.79 1.29 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.366 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -69.66 60.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 108.39 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 87' ' ' ASP . 7.5 t -94.57 -5.99 44.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.5 m -150.98 -44.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.52 138.33 58.35 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.418 1.073 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.36 117.91 24.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.979 ' O ' HG22 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -90.93 129.06 36.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.392 1.057 . . . . 0.0 108.245 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.501 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 25.2 mt-30 -101.17 115.68 31.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.916 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.4 t -87.61 105.71 15.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.372 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -154.29 176.02 32.28 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.888 HD21 HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -106.22 147.53 28.98 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.499 0.764 . . . . 0.0 109.254 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.14 143.13 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.13 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.576 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -81.82 159.66 23.71 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 0.0 109.202 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.85 -12.38 59.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.381 1.051 . . . . 0.0 109.198 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.48 -13.15 32.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.96 47.03 40.79 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.454 1.097 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 105' ' ' PRO . 25.5 m120 -104.92 147.17 28.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 0.743 . . . . 0.0 109.198 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -35.58 96.63 0.01 OUTLIER Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.0 Cg_endo -75.1 150.13 37.29 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.341 1.706 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.3 107.16 18.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -103.22 151.25 17.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.916 HG12 ' O ' ' A' ' 95' ' ' VAL . 9.0 p -101.38 116.67 45.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.78 92.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.979 HG22 ' O ' ' A' ' 93' ' ' CYS . 3.8 tt -71.34 148.38 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 10' ' ' SER . 9.3 m . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.452 ' C ' HG23 ' A' ' 4' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.938 0 N-CA-C 110.943 -0.445 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.739 ' HB ' HD23 ' A' ' 26' ' ' LEU . 2.0 p 57.47 -166.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.55 1.157 . . . . 0.0 110.34 179.829 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 97' ' ' LEU . . . -53.06 120.26 5.68 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.605 1.191 . . . . 0.0 109.337 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.472 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -143.89 144.28 31.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 0.0 110.412 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.915 HG23 HG22 ' A' ' 21' ' ' VAL . 2.9 p -107.58 137.17 40.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.597 1.185 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.575 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -32.08 -60.17 0.35 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 110.331 -179.875 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.151 ' CD ' HG21 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.01 148.64 35.51 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 p -128.95 -53.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 110.032 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 t -125.36 163.8 21.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.18 35.16 68.92 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.546 1.154 . . . . 0.0 111.071 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.807 HD23 HG23 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -66.75 173.36 3.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.748 . . . . 0.0 109.374 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.599 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -124.65 139.06 54.21 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.536 1.148 . . . . 0.0 109.93 -179.865 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.36 78.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.593 1.183 . . . . 0.0 109.43 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 124.64 38.46 0.51 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.3 m -88.26 103.36 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 0.711 . . . . 0.0 110.375 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.6 p -89.73 129.56 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.151 HG21 ' CD ' ' A' ' 9' ' ' PRO . 12.2 m -152.8 -159.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -112.15 140.14 47.09 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.381 1.051 . . . . 0.0 109.348 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.915 HG22 HG23 ' A' ' 7' ' ' VAL . 25.6 t -111.93 96.33 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.217 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.16 123.74 34.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.433 ' CA ' ' HA ' ' A' ' 5' ' ' ALA . . . -120.02 92.78 0.53 Allowed Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.39 111.98 23.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 0.738 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.99 12.49 20.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.739 HD23 ' HB ' ' A' ' 4' ' ' THR . 0.2 OUTLIER -98.17 -143.45 0.31 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 0.0 109.252 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.849 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.6 mm100 -40.84 89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -61.32 82.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 77.05 11.48 85.53 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.656 1.222 . . . . 0.0 111.101 -179.891 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.516 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -90.47 -175.65 4.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.611 0.83 . . . . 0.0 110.373 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.608 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -135.8 107.84 7.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 0.0 109.372 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.625 ' CE2' ' CD ' ' A' ' 27' ' ' GLN . 3.8 m-30 -117.39 -169.26 1.63 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -121.35 118.53 29.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.621 HG21 ' CG2' ' A' ' 65' ' ' THR . 1.9 t -78.61 140.12 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.598 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 176.32 156.67 15.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.727 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.79 104.41 16.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 0.787 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 t -106.34 147.48 29.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.413 1.071 . . . . 0.0 108.266 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.842 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -168.04 156.76 9.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.7 p-90 -68.79 104.95 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.951 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -88.32 -45.31 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.467 ' CB ' ' HB ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -90.12 -162.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.394 1.059 . . . . 0.0 109.401 179.917 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -66.46 79.83 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.56 24.58 75.22 Favored Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.404 1.065 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 86.3 t -101.56 106.81 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.631 0.842 . . . . 0.0 109.283 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 mt -58.4 96.73 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.951 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -104.1 135.85 44.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.165 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.0 m -108.54 149.37 28.94 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 108.193 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.564 ' OD1' ' CG ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -85.63 174.3 5.84 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.558 1.161 . . . . 0.0 109.225 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.632 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.11 -14.23 20.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.26 8.66 44.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.598 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -89.26 11.53 18.63 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.632 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.7 m-85 -106.64 96.63 6.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.497 ' OG ' HD23 ' A' ' 67' ' ' LEU . 33.1 t -138.83 70.71 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.008 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.93 118.28 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.819 HG21 ' HB ' ' A' ' 65' ' ' THR . 1.2 p -152.73 165.13 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.608 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -123.89 154.37 39.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.99 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.56 148.49 28.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -64.18 159.59 20.26 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.508 1.13 . . . . 0.0 109.185 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.04 -30.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.244 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.4 t-20 -89.23 35.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.596 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.14 42.76 4.3 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 14.9 m -109.31 97.81 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.353 0.678 . . . . 0.0 109.993 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.99 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.24 102.23 11.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.367 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.5 p -104.53 81.21 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.019 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.819 ' HB ' HG21 ' A' ' 55' ' ' VAL . 7.1 t -108.29 135.05 50.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 79.3 p -91.53 142.88 27.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.944 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.497 HD23 ' OG ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -152.08 177.1 10.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.886 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 42.1 m -106.9 124.98 50.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 110.464 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.474 HG13 HG21 ' A' ' 110' ' ' ILE . 82.5 t -87.83 85.82 2.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.126 . . . . 0.0 109.236 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.691 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 57.8 mtt-85 -100.32 75.75 1.82 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.498 1.124 . . . . 0.0 110.169 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' ARG . 7.3 ttm180 -36.17 -31.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.89 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 2.9 m -93.11 117.4 30.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.033 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.691 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -165.93 165.7 17.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 111.049 -179.92 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.55 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 2.0 tp10 -90.97 90.56 7.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -54.07 162.11 3.71 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.496 1.123 . . . . 0.0 111.069 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.663 ' CD2' ' CB ' ' A' ' 82' ' ' ARG . 60.2 m-85 -141.72 131.15 23.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.623 0.837 . . . . 0.0 111.023 -179.828 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.046 HD13 HG23 ' A' ' 81' ' ' THR . 3.6 mp -66.33 142.15 57.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.375 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -65.29 -22.98 66.91 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -55.5 33.24 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 179.902 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.43 -28.75 0.22 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.494 1.121 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' THR . . . . . 1.046 HG23 HD13 ' A' ' 77' ' ' LEU . 3.5 t -81.94 161.71 22.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 110.355 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.663 ' CB ' ' CD2' ' A' ' 76' ' ' PHE . 22.1 ptt180 -104.75 145.01 30.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.411 179.903 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.601 ' CD1' HG13 ' A' ' 40' ' ' VAL . 32.3 t-105 -106.6 -86.33 0.49 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.622 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 140.57 -98.85 0.24 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.61 1.194 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.622 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 61.2 m 84.81 -49.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.612 0.831 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.568 HG12 ' N ' ' A' ' 87' ' ' ASP . 96.0 t 71.22 -103.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.568 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -61.59 105.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -89.03 79.07 7.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 108.353 179.939 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.7 t -106.85 -32.43 7.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 110.433 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.3 m -89.11 -58.44 2.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.473 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -70.87 103.24 2.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.424 1.078 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.03 102.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.405 1.066 . . . . 0.0 109.267 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.842 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 5.0 m -83.92 126.78 33.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 108.355 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.544 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 27.6 mt-30 -105.56 117.18 33.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.727 HG22 ' HB3' ' A' ' 36' ' ' GLN . 1.5 t -87.0 119.84 35.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.426 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -164.35 174.4 40.41 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.586 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -96.63 122.33 39.44 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.56 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 97.9 p -101.46 167.32 10.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.605 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -76.38 160.15 29.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.84 1.69 53.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.369 1.043 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.53 -73.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.22 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.38 40.43 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -128.03 148.43 50.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.77 . . . . 0.0 109.356 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.07 108.42 1.54 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.403 ' CD ' ' HA ' ' A' ' 98' ' ' SER . 18.4 Cg_endo -74.97 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.791 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.98 143.36 35.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -134.71 171.91 22.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.623 ' O ' HG13 ' A' ' 108' ' ' VAL . 3.4 p -95.0 105.1 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.558 0.799 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.02 81.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.245 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.807 HG23 HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -75.85 145.15 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.588 1.18 . . . . 0.0 109.246 -179.93 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.68 ' H ' HD13 ' A' ' 110' ' ' ILE . 2.4 p . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.044 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.828 0 N-CA-C 111.102 -0.384 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.457 ' HB ' HD22 ' A' ' 26' ' ' LEU . 29.2 p 41.83 -124.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.37 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.604 ' N ' HD23 ' A' ' 26' ' ' LEU . . . -90.45 119.52 30.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.219 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.828 ' C ' HG13 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -146.08 144.7 30.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.6 1.188 . . . . 0.0 110.366 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.946 HG12 ' CG2' ' A' ' 19' ' ' VAL . 1.4 t -76.7 142.42 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.463 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.34 -54.0 1.2 Allowed Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.611 1.194 . . . . 0.0 110.489 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.928 ' CD ' HG21 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.08 -164.25 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.485 ' O ' HD11 ' A' ' 13' ' ' LEU . 1.9 t -151.34 -61.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.984 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.547 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 43.7 t -133.78 162.15 32.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.621 1.2 . . . . 0.0 110.099 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.14 25.38 59.69 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 111.083 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.541 HD13 HG13 ' A' ' 110' ' ' ILE . 2.4 mp -77.25 175.65 9.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.43 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.4 t -132.56 159.39 39.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.052 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 7.1 t70 -65.94 60.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.593 1.183 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 158.59 32.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.1 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' VAL . 16.0 m -91.51 102.32 14.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 110.434 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 7.5 p -102.89 129.48 54.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.946 ' CG2' HG12 ' A' ' 7' ' ' VAL . 35.4 m -151.82 -156.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 3.2 pttm -114.98 133.65 55.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.908 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.828 HG13 ' C ' ' A' ' 6' ' ' THR . 22.4 t -107.09 114.08 45.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.84 135.56 33.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.379 1.049 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.541 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -107.96 79.75 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.18 92.82 3.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 0.75 . . . . 0.0 109.178 -179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.36 34.14 7.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.459 1.099 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.676 HD11 HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -85.39 -144.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.99 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.6 mp0 -66.37 79.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.303 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.412 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . . . -59.37 91.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.05 -18.74 56.67 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.397 1.061 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.515 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.8 -179.53 5.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 0.784 . . . . 0.0 110.353 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.51 ' HB1' ' OG1' ' A' ' 56' ' ' THR . . . -162.69 120.29 2.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.354 1.034 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE2' ' CD ' ' A' ' 27' ' ' GLN . 17.3 m-30 -118.32 -146.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.453 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 12.0 t70 -122.03 120.6 34.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.328 1.017 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.657 HG23 ' HB3' ' A' ' 97' ' ' LEU . 1.2 t -90.14 146.5 6.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.148 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.562 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 173.03 160.65 22.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.09 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.538 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.2 OUTLIER -93.18 100.56 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 0.809 . . . . 0.0 110.31 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.3 t -106.69 148.92 27.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 108.338 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -176.86 164.54 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.535 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 2.1 m95 -68.63 118.29 11.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 108.038 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.904 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -105.38 -42.92 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.635 ' HB2' HD11 ' A' ' 77' ' ' LEU . 5.9 t0 -79.91 -156.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.612 1.195 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -90.77 72.13 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.405 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.69 5.3 61.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.656 HG12 HD22 ' A' ' 77' ' ' LEU . 2.3 t -101.22 124.07 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 0.724 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -72.26 119.36 16.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.049 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . . . -124.79 132.21 53.37 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 76' ' ' PHE . 56.3 m -95.86 156.95 16.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 108.261 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.46 ' O ' ' HB3' ' A' ' 51' ' ' ASP . 6.5 m-20 -84.33 162.84 50.02 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.912 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 73' ' ' PHE . 18.5 Cg_endo -75.04 -14.35 21.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.09 13.41 30.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.617 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.92 13.33 13.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.619 1.199 . . . . 0.0 109.269 -179.967 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -106.78 93.22 4.45 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.502 ' CB ' ' HG ' ' A' ' 67' ' ' LEU . 13.7 t -150.44 88.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.957 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' SER . 85.1 p -36.55 124.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 110.087 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.642 HG21 HG21 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -111.87 140.06 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.825 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.51 ' OG1' ' HB1' ' A' ' 31' ' ' ALA . 5.6 m -132.95 125.9 30.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.99 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -106.74 123.13 47.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.158 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -56.64 157.16 5.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.908 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.97 -26.2 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.612 1.195 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.443 ' N ' ' C ' ' A' ' 58' ' ' ASP . 43.2 t30 -87.92 32.14 0.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 0.0 109.38 179.86 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.52 43.76 6.36 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.411 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 19.9 m -114.57 98.61 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 0.768 . . . . 0.0 109.953 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.973 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.94 85.76 2.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.67 1.231 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.6 p -93.28 77.22 4.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.068 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.585 ' CB ' HG23 ' A' ' 55' ' ' VAL . 26.3 m -107.96 131.31 54.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 110.427 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 26.8 p -101.04 148.55 24.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.934 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.884 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -160.64 176.5 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.178 . . . . 0.0 109.351 179.925 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.884 ' H ' HD13 ' A' ' 67' ' ' LEU . 7.8 t -98.09 124.96 42.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.867 HG11 HG12 ' A' ' 110' ' ' ILE . 6.6 t -88.35 88.53 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.92 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -102.38 131.48 48.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HD2' ' CA ' ' A' ' 89' ' ' THR . 27.1 ttp85 -92.52 -41.22 10.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.24 -179.926 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.532 ' O ' ' CG ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -80.71 131.53 35.46 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 161.62 170.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.536 1.147 . . . . 0.0 110.915 180.0 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -83.93 131.54 34.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.16 157.05 38.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 111.082 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 6.0 m-85 -123.12 97.44 5.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.049 ' CD2' ' HB2' ' A' ' 46' ' ' ALA . 60.3 mt -79.04 173.42 12.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 109.226 -179.909 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -89.13 -33.43 17.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 111.057 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.8 -21.7 17.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.338 1.024 . . . . 0.0 109.22 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.564 ' O ' ' C ' ' A' ' 81' ' ' THR . . . -147.87 59.01 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.898 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.645 HG23 ' H ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -23.86 -92.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.622 0.836 . . . . 0.0 110.394 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.645 ' H ' HG23 ' A' ' 81' ' ' THR . 4.7 ttt180 -52.22 81.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.649 ' CD1' HG13 ' A' ' 40' ' ' VAL . 24.6 t-105 -83.56 -87.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 167.37 -129.86 1.99 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.548 1.155 . . . . 0.0 111.065 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.831 HG21 HG22 ' A' ' 40' ' ' VAL . 2.2 m 87.64 -76.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.614 0.832 . . . . 0.0 110.352 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.414 ' O ' ' HB2' ' A' ' 72' ' ' SER . 5.8 t 73.54 -7.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 85' ' ' THR . 1.1 t70 -145.53 105.27 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 39.6 t -91.0 41.46 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 108.301 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.469 ' CA ' ' HD2' ' A' ' 71' ' ' ARG . 9.9 t -86.22 -17.51 34.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.247 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.8 m -87.98 -52.85 5.04 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.563 1.164 . . . . 0.0 110.353 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.75 149.64 21.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 109.427 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.07 117.27 22.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.367 -179.915 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.405 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -84.04 122.97 29.52 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.461 1.101 . . . . 0.0 108.238 -179.941 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.538 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 8.6 mt-30 -100.81 117.85 35.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.233 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.781 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.3 t -87.15 109.84 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.379 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.56 -178.03 35.14 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.415 1.072 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.739 ' O ' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -106.25 149.01 27.28 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.1 m -105.18 130.79 53.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 103' ' ' ASN . 0.1 OUTLIER -66.0 161.32 21.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.197 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.58 0.84 55.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -104.31 -14.16 15.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.323 179.874 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.6 56.6 4.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.074 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.43 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 35.2 m120 -117.88 144.71 45.19 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.641 0.848 . . . . 0.0 109.235 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.21 96.54 0.01 OUTLIER Glycine 0 CA--C 1.532 1.129 0 O-C-N 124.579 1.174 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.2 Cg_endo -75.03 153.62 41.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.66 1.874 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.79 108.49 19.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 0.0 110.342 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -111.07 155.12 16.3 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.781 HG12 ' O ' ' A' ' 95' ' ' VAL . 12.0 p -103.13 119.26 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 124.454 0.737 . . . . 0.0 109.441 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.28 90.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.838 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.867 HG12 HG11 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -71.06 116.74 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.348 179.932 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.547 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 110.111 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.437 ' O ' HG23 ' A' ' 6' ' ' THR . 18.0 Cg_endo . . . . . 0 N--CA 1.455 -0.768 0 N-CA-C 110.95 -0.442 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.429 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.5 p 52.62 -173.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.645 1.215 . . . . 0.0 110.387 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.432 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -53.38 115.52 1.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -132.78 146.05 51.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.474 179.965 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.512 HG13 ' HB ' ' A' ' 19' ' ' VAL . 2.3 t -98.19 113.54 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.369 1.043 . . . . 0.0 109.377 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.763 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -51.42 -69.75 0.29 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.389 -179.932 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.763 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.97 55.72 4.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.591 1.837 . . . . 0.0 111.072 179.936 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.4 ' HB3' HG12 ' A' ' 7' ' ' VAL . 5.7 p -87.85 16.58 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.055 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.3 p -114.11 137.4 51.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 13' ' ' LEU . . . 47.66 45.14 23.92 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.648 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -43.82 169.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 0.783 . . . . 0.0 109.238 -179.928 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -141.79 144.8 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.945 179.988 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -42.67 93.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 179.903 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 79.18 56.56 3.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.069 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.687 HG22 ' CG1' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -90.33 119.95 31.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 110.447 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' ' 18' ' ' VAL . 1.3 t -73.48 100.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.687 ' CG1' HG22 ' A' ' 17' ' ' THR . 5.2 m -106.97 177.63 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.087 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -117.16 115.69 25.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.407 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.5 t -89.53 91.43 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -88.71 109.36 20.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.382 1.051 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -110.06 132.88 11.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.565 1.165 . . . . 0.0 111.047 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.8 104.47 5.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 0.794 . . . . 0.0 109.392 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 92.41 32.83 7.94 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.515 1.135 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' ALA . 21.1 tp -99.98 -104.18 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.631 0.842 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.714 ' NE2' HD13 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -42.31 -23.94 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.523 1.14 . . . . 0.0 110.247 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . 67.53 21.28 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 106.45 -0.12 37.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 0.0 111.029 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -162.7 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 0.726 . . . . 0.0 110.289 -179.865 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.673 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -135.19 145.08 47.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.621 ' CE1' ' HA ' ' A' ' 99' ' ' ASP . 6.8 m-85 -152.43 -165.79 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -118.69 121.66 40.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.759 HG12 ' HB3' ' A' ' 53' ' ' SER . 0.3 OUTLIER -85.6 141.52 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.674 1.234 . . . . 0.0 109.283 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.541 ' HA3' ' CB ' ' A' ' 51' ' ' ASP . . . -174.07 153.04 15.92 Favored Glycine 0 CA--C 1.532 1.139 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.608 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -91.31 71.7 6.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.683 0.873 . . . . 0.0 110.297 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.549 ' SG ' HD12 ' A' ' 45' ' ' LEU . 11.6 t -82.06 151.83 26.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.398 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -177.83 161.47 1.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 0.0 109.225 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 46.3 p-90 -70.23 110.62 5.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.487 1.117 . . . . 0.0 108.0 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.649 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -100.34 -47.91 11.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.488 1.117 . . . . 0.0 109.402 179.919 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.648 ' OD2' HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -80.77 -166.67 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.964 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -61.9 77.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 67.2 25.29 73.51 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 49.3 t -102.1 114.18 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.457 0.739 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.549 HD12 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -63.11 97.21 0.11 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.96 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -106.94 134.69 49.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.1 m -108.42 147.42 31.64 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.511 1.132 . . . . 0.0 108.251 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.638 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -79.67 163.46 58.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.613 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.5 Cg_endo -75.04 -14.55 21.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.3 7.9 45.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.373 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.541 ' CB ' ' HA3' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -88.65 15.06 8.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.912 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 14.4 m-85 -108.01 90.69 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.759 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -138.76 82.6 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.1 p -43.77 126.52 4.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 110.068 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.017 ' HB ' HD21 ' A' ' 97' ' ' LEU . 2.0 t -143.64 163.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.391 1.057 . . . . 0.0 109.359 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.673 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -140.3 151.55 45.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.449 179.973 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.918 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.82 147.77 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.073 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -62.67 159.82 15.39 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.45 -32.77 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.4 t30 -89.11 35.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.204 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.67 36.53 1.68 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.582 1.176 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 69.3 m -103.1 97.95 7.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 0.0 109.969 -179.926 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.918 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -107.17 88.83 2.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.551 1.157 . . . . 0.0 109.219 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 4.7 p -98.74 76.58 2.2 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.767 HG21 HG13 ' A' ' 55' ' ' VAL . 20.9 p -111.34 145.95 37.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.575 ' O ' HD22 ' A' ' 67' ' ' LEU . 55.5 p -96.52 148.79 22.46 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.441 1.088 . . . . 0.0 109.939 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -148.61 160.21 43.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.344 179.899 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.445 HG23 ' CG ' ' A' ' 70' ' ' ARG . 11.0 t -95.72 129.18 43.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.138 . . . . 0.0 110.432 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.928 HG11 HD12 ' A' ' 110' ' ' ILE . 60.5 t -86.78 88.99 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.59 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 12.0 mtp180 -88.15 63.67 7.35 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 70' ' ' ARG . 25.1 ttp180 -31.57 -40.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 179.922 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 31.2 p -86.16 108.9 18.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.149 . . . . 0.0 109.938 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.638 ' CE2' ' OD1' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -157.0 165.47 36.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 179.93 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -95.48 82.51 3.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.225 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -46.13 158.02 0.37 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.464 1.102 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -136.43 123.56 21.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 110.99 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.928 HD13 HG23 ' A' ' 81' ' ' THR . 2.5 mp -57.36 151.63 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.382 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -26.6 62.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -55.34 -50.9 68.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.919 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.68 -28.77 0.55 Allowed Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.945 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.928 HG23 HD13 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -80.87 147.59 30.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 110.452 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -85.86 145.0 27.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.355 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.649 ' CD1' HG13 ' A' ' 40' ' ' VAL . 57.6 t-105 -105.11 -86.76 0.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.022 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.609 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 144.07 -106.86 0.43 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.609 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 6.6 m 90.38 -52.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 0.819 . . . . 0.0 110.459 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.556 HG12 ' N ' ' A' ' 87' ' ' ASP . 89.2 t 68.74 -104.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.556 ' N ' HG12 ' A' ' 86' ' ' VAL . 27.3 t0 -62.66 97.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.61 1.193 . . . . 0.0 109.248 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 8.8 t -79.94 64.59 4.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.3 t -103.66 -22.17 13.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 91' ' ' ALA . 8.9 t -89.2 -51.0 5.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 110.343 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.467 ' N ' HG23 ' A' ' 90' ' ' THR . . . -89.54 150.98 22.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -90.43 120.83 31.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.632 1.207 . . . . 0.0 109.241 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.21 122.2 33.63 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.545 1.153 . . . . 0.0 108.262 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.547 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 33.9 mt-30 -97.97 108.63 21.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.137 . . . . 0.0 110.232 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.608 HG22 ' HB3' ' A' ' 36' ' ' GLN . 1.3 t -90.05 128.19 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.229 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 178.2 171.88 42.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.394 1.059 . . . . 0.0 110.989 179.91 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.017 HD21 ' HB ' ' A' ' 55' ' ' VAL . 0.8 OUTLIER -94.23 128.67 40.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 0.727 . . . . 0.0 109.302 179.886 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.6 p -96.43 159.49 14.92 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.526 1.141 . . . . 0.0 110.07 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.621 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -88.37 157.23 18.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 109.199 -179.875 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.4 6.12 46.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -100.3 -16.98 17.5 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.23 51.77 3.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.112 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 105' ' ' PRO . 23.9 m120 -111.11 144.14 40.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.79 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -33.3 94.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.55 1.156 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.481 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.2 Cg_endo -75.07 111.44 3.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.48 142.39 37.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -141.25 173.42 23.35 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.503 HG21 ' H ' ' A' ' 7' ' ' VAL . 11.8 p -104.93 132.17 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.76 91.5 1.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.928 HD12 HG11 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -83.69 137.62 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.208 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.4 t . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.486 1.116 . . . . 0.0 109.972 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.576 ' O ' HG23 ' A' ' 6' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.455 -0.778 0 N-CA-C 110.871 -0.473 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.922 ' HB ' HD13 ' A' ' 26' ' ' LEU . 30.6 p 46.94 -159.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.67 1.231 . . . . 0.0 110.402 179.859 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.8 ' HB2' HD22 ' A' ' 26' ' ' LEU . . . -58.97 114.92 2.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -140.18 145.08 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.63 1.206 . . . . 0.0 110.326 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.033 HG12 ' HD2' ' A' ' 9' ' ' PRO . 4.7 t -79.83 130.66 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.602 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -39.19 -61.76 0.91 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.614 1.196 . . . . 0.0 110.387 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.033 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.94 -155.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.84 -34.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.971 179.904 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 111' ' ' SER . 0.4 OUTLIER -83.28 37.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.998 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -92.88 19.72 49.99 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.501 1.126 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.627 HD12 ' N ' ' A' ' 14' ' ' SER . 1.8 pp -35.23 -47.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 0.808 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.627 ' N ' HD12 ' A' ' 13' ' ' LEU . 9.4 t -154.92 -124.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.501 1.126 . . . . 0.0 110.054 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER 42.74 34.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 37.49 55.75 1.63 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.828 ' O ' HG12 ' A' ' 69' ' ' VAL . 3.7 m -69.5 105.0 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 -179.889 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.788 HG22 ' OG1' ' A' ' 68' ' ' THR . 5.1 t -94.77 122.46 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.902 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -151.68 -167.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.175 -179.883 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 2.6 mttt -107.37 140.95 39.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.421 179.849 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 6' ' ' THR . 64.6 t -114.41 103.69 15.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.09 127.13 35.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -109.46 94.28 0.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.678 1.236 . . . . 0.0 110.948 -179.917 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.93 110.52 21.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.578 0.81 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.82 32.41 29.93 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.599 1.187 . . . . 0.0 111.129 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.922 HD13 ' HB ' ' A' ' 4' ' ' THR . 10.9 tp -99.33 -138.08 0.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.991 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.6 mp0 -52.21 90.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -60.08 84.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 73.43 15.05 79.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.421 1.076 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.528 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.6 -178.44 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 0.822 . . . . 0.0 110.481 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.737 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -144.68 103.12 3.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.383 179.873 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.716 ' HB2' HD12 ' A' ' 97' ' ' LEU . 12.4 m-30 -114.17 170.18 8.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.5 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -90.91 112.41 24.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 179.977 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.663 HG23 ' HB3' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -74.29 144.52 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.182 . . . . 0.0 109.192 -179.918 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.639 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 169.24 161.67 20.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 111.068 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.807 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -98.43 107.41 19.86 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.393 0.702 . . . . 0.0 110.387 179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.498 ' SG ' HD23 ' A' ' 45' ' ' LEU . 2.3 t -108.0 152.82 23.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 108.335 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.653 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -172.6 165.26 5.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 109.264 179.935 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.526 ' CZ3' ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -78.69 117.9 20.26 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.623 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.9 OUTLIER -106.99 -47.55 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.239 -179.939 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.6 ' OD2' ' CZ2' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -87.99 -175.45 5.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.401 1.063 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.653 ' O ' HG23 ' A' ' 44' ' ' VAL . 46.9 m -50.33 92.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 49.76 23.16 4.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.059 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 42' ' ' THR . 53.3 t -98.35 117.23 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.6 0.824 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -69.67 105.48 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -113.51 134.86 54.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.373 1.046 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.5 m -97.66 155.94 16.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 108.155 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.474 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -85.57 167.0 27.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.163 . . . . 0.0 109.25 -179.944 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.64 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.0 Cg_endo -75.05 -11.39 21.38 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.546 1.814 . . . . 0.0 110.937 -179.902 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.48 12.26 31.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.36 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.639 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -89.47 6.75 39.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.067 . . . . 0.0 109.362 179.943 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -105.99 93.02 4.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 111.037 179.938 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.476 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -149.68 85.24 1.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.617 1.198 . . . . 0.0 109.944 -179.884 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 55' ' ' VAL . 28.5 t -35.31 140.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 110.058 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.068 HG13 HG21 ' A' ' 65' ' ' THR . 2.7 t -155.4 144.74 12.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.479 1.112 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.737 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -132.21 146.21 51.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 110.379 -179.927 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.994 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -105.98 143.78 33.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -63.07 158.37 19.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.41 -29.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 58' ' ' ASP . 20.6 t30 -88.4 34.72 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.91 40.21 3.09 Favored Glycine 0 CA--C 1.528 0.873 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 3.4 m -105.56 100.25 9.83 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.356 0.68 . . . . 0.0 109.959 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.994 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -104.95 85.46 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.414 179.867 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 p -95.83 74.76 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 -179.941 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 65' ' ' THR . . . . . 1.068 HG21 HG13 ' A' ' 55' ' ' VAL . 82.2 p -110.03 136.39 49.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.972 ' O ' HD22 ' A' ' 67' ' ' LEU . 63.7 p -105.69 143.43 33.85 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.405 1.066 . . . . 0.0 110.036 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.972 HD22 ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -160.11 -174.52 4.59 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.788 ' OG1' HG22 ' A' ' 18' ' ' VAL . 63.4 m -108.26 126.49 52.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 17' ' ' THR . 4.5 p -89.22 92.42 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.468 ' N ' ' OE1' ' A' ' 36' ' ' GLN . 4.2 mmt180 -96.04 125.63 40.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 22.2 ttp180 -91.43 -39.98 11.68 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.351 1.032 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 13.6 p -85.02 131.78 34.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.049 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.512 ' HB3' ' CG ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 161.78 -177.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.952 -179.962 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.489 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 2.5 tt0 -91.34 107.19 19.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.418 ' HA3' ' OG1' ' A' ' 85' ' ' THR . . . -88.72 167.75 35.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -135.46 132.89 37.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.727 . . . . 0.0 111.032 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.532 ' CD1' ' HB2' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -53.11 176.2 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.585 1.178 . . . . 0.0 109.356 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -82.79 -27.07 31.23 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.574 1.171 . . . . 0.0 111.084 179.909 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.452 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -61.42 -57.89 10.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.49 -27.54 0.25 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -73.06 146.29 45.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 0.817 . . . . 0.0 110.404 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.432 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 23.8 ptt180 -81.61 139.27 35.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 -179.892 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.623 ' CD1' HG13 ' A' ' 40' ' ' VAL . 60.6 t-105 -97.06 -88.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 108.03 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.489 ' O ' ' HA ' ' A' ' 74' ' ' GLU . . . 173.04 -57.3 0.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 87' ' ' ASP . 61.8 m 69.95 -62.37 0.43 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.406 0.71 . . . . 0.0 110.488 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 72' ' ' SER . 57.6 t 66.24 -67.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 179.879 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 85' ' ' THR . 0.5 OUTLIER -143.79 96.2 2.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.4 1.063 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 4.0 t -68.33 67.23 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 108.259 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 87' ' ' ASP . 9.7 t -106.31 -12.87 15.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.044 . . . . 0.0 110.445 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 91' ' ' ALA . 10.0 t -89.24 -55.01 3.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.01 130.78 36.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.75 115.06 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.343 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.653 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -81.94 124.08 29.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 108.352 179.913 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.49 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.9 pt20 -101.59 123.36 45.48 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.411 1.069 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.807 HG22 ' HG2' ' A' ' 36' ' ' GLN . 44.0 t -87.44 114.89 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.576 1.172 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.16 170.12 38.51 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.777 HD21 ' CD2' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -107.52 133.39 52.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.6 p -103.3 154.93 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.507 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -64.23 160.71 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 -179.952 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.38 -3.08 38.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.235 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.08 -87.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -173.35 37.12 0.13 Allowed Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.439 1.087 . . . . 0.0 110.99 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.87 151.4 35.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.233 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 177.68 66.22 0.06 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.521 1.138 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 1.68 7.48 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.523 1.802 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.31 149.89 27.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 140.74 147.97 5.04 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 -179.922 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.3 p -104.41 128.76 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.431 0.724 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.09 90.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.769 HG21 HG21 ' A' ' 69' ' ' VAL . 1.5 tp -81.08 159.61 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.454 ' O ' HD23 ' A' ' 13' ' ' LEU . 4.4 p . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.573 1.171 . . . . 0.0 110.01 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.606 ' C ' HG23 ' A' ' 4' ' ' THR . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.81 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.62 ' HB ' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER 57.25 -164.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.335 179.927 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.918 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -74.23 127.49 33.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -137.08 143.78 42.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.406 1.066 . . . . 0.0 110.382 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.953 ' HB ' HD11 ' A' ' 110' ' ' ILE . 3.5 t -88.32 113.11 24.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.563 1.165 . . . . 0.0 109.307 179.899 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.732 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -51.27 -68.7 0.36 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.95 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.732 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.05 52.24 3.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.753 ' HA ' HD23 ' A' ' 13' ' ' LEU . 79.9 p -87.4 -0.55 56.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 p -93.2 128.18 39.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.065 179.904 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 41.16 47.92 4.39 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.999 HD21 HG23 ' A' ' 110' ' ' ILE . 0.8 OUTLIER -73.16 173.35 9.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 0.729 . . . . 0.0 109.266 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 69' ' ' VAL . 1.6 t -135.85 153.19 51.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.051 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.421 ' HA ' ' HA ' ' A' ' 70' ' ' ARG . 29.9 p-10 -61.19 99.24 0.09 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.45 ' HA2' ' CG2' ' A' ' 68' ' ' THR . . . 112.99 24.62 4.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.34 126.32 39.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 0.751 . . . . 0.0 110.429 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -72.83 115.68 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.95 ' HB ' HG13 ' A' ' 7' ' ' VAL . 5.1 m -120.7 162.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.328 1.017 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.68 115.73 29.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.918 HG12 ' HB1' ' A' ' 5' ' ' ALA . 1.4 t -91.47 91.04 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.61 112.15 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.496 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -110.84 139.9 15.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.436 1.085 . . . . 0.0 111.077 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.04 118.7 9.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.28 -179.932 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 85.78 9.53 77.81 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.938 ' HG ' HD11 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -71.41 -107.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.865 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 17.2 mm-40 -49.79 -21.44 1.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.43 1.081 . . . . 0.0 110.245 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.436 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 64.13 17.01 10.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 124.74 -8.27 8.22 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.579 1.174 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.487 HG22 ' H ' ' A' ' 31' ' ' ALA . 1.3 m -80.87 -161.42 0.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 0.757 . . . . 0.0 110.474 179.933 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.534 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -143.53 122.37 12.69 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.817 ' HB2' HD12 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -123.84 176.24 6.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.409 1.068 . . . . 0.0 111.025 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.495 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 15.2 t0 -100.94 126.39 47.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.598 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -86.06 139.82 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.445 179.898 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.558 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 173.41 148.93 6.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.095 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.744 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -91.97 108.71 20.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.566 0.804 . . . . 0.0 110.348 179.912 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.1 t -108.14 149.36 28.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 108.299 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -174.01 154.72 2.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.5 p-90 -62.15 115.47 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.981 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -98.17 -42.02 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.453 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -84.23 -154.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.74 ' O ' HG23 ' A' ' 42' ' ' THR . 6.6 t -75.77 56.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.453 179.901 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.46 1.16 57.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.455 1.097 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 21.1 t -78.97 113.61 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.426 0.721 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 104.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.388 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.981 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -114.71 134.89 54.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.366 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.8 m -101.48 156.06 17.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 108.339 179.944 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.734 ' ND2' ' CD2' ' A' ' 73' ' ' PHE . 3.6 m-20 -85.7 165.73 33.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.606 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.04 -9.86 20.9 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.461 1.769 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.66 14.01 29.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.558 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.92 7.39 31.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.237 -179.917 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.606 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 2.2 m-85 -105.79 90.33 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.065 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.581 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -145.73 84.01 1.66 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.123 . . . . 0.0 109.987 179.957 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 53' ' ' SER . 14.5 t -33.15 143.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.686 HG21 HG21 ' A' ' 65' ' ' THR . 1.3 p -152.05 149.71 13.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.223 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.534 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -137.03 138.82 40.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.43 179.982 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.952 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -105.69 136.72 44.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 1.045 . . . . 0.0 109.394 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.646 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -58.65 162.31 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -36.99 -37.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -87.85 38.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.367 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.646 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.58 38.95 1.63 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.47 1.106 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -93.99 93.58 7.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 0.79 . . . . 0.0 109.992 179.964 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.952 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.29 79.85 1.43 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.455 1.097 . . . . 0.0 109.225 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 p -91.44 77.66 5.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.065 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.686 HG21 HG21 ' A' ' 55' ' ' VAL . 3.8 t -109.18 146.05 34.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.359 1.037 . . . . 0.0 110.348 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.507 ' O ' HD22 ' A' ' 67' ' ' LEU . 28.0 p -106.32 149.34 27.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.507 HD22 ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -152.53 174.6 13.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.45 ' CG2' ' HA2' ' A' ' 16' ' ' GLY . 52.3 m -106.42 135.46 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.358 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.932 HG11 HD22 ' A' ' 13' ' ' LEU . 25.1 t -88.73 90.91 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.602 1.189 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' ARG . 1.2 mtt180 -100.87 69.59 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 110.232 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -36.01 -38.32 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.609 1.193 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 9.8 p -79.52 110.41 14.8 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.734 ' CD2' ' ND2' ' A' ' 48' ' ' ASN . 8.2 p90 -157.82 147.77 20.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.474 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 58.8 tt0 -80.44 79.05 7.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.797 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -37.79 150.65 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.105 . . . . 0.0 111.049 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.549 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -137.02 117.4 13.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.578 0.81 . . . . 0.0 110.985 179.945 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.868 HD12 ' CG2' ' A' ' 81' ' ' THR . 6.8 mt -56.78 124.61 19.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -55.66 -25.57 40.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 111.049 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -52.48 -48.9 65.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.384 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.0 -24.54 0.48 Allowed Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.517 1.136 . . . . 0.0 111.074 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.868 ' CG2' HD12 ' A' ' 77' ' ' LEU . 10.7 t -89.6 145.57 25.17 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.427 0.722 . . . . 0.0 110.461 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -94.49 142.59 27.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.245 -179.891 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.751 ' HB2' HD21 ' A' ' 77' ' ' LEU . 67.5 t-105 -104.91 -89.07 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 107.989 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.597 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 141.44 -106.19 0.46 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.533 1.146 . . . . 0.0 110.8 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.597 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 58.0 m 82.29 -50.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 0.748 . . . . 0.0 110.392 -179.899 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.546 HG12 ' N ' ' A' ' 87' ' ' ASP . 93.5 t 69.08 -103.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.546 ' N ' HG12 ' A' ' 86' ' ' VAL . 8.8 t0 -49.58 95.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 40.5 t -81.81 52.7 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 108.201 -179.922 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.9 t -93.5 -22.53 18.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 m -88.55 -50.91 5.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.401 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -89.39 149.74 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.233 -179.877 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.448 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -88.79 118.32 28.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.419 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -90.63 122.04 33.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.608 1.192 . . . . 0.0 108.237 -179.929 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.514 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 29.5 mt-30 -94.37 112.43 24.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.815 ' HB ' HD13 ' A' ' 110' ' ' ILE . 36.9 t -87.86 114.74 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -165.72 175.73 41.33 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.938 HD11 ' HG ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -106.47 124.16 49.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.804 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.6 p -97.16 167.09 11.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.389 1.055 . . . . 0.0 109.932 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.639 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -76.13 160.81 29.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.29 -4.51 30.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.18 -29.96 17.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.8 46.52 2.08 Favored Glycine 0 CA--C 1.532 1.134 0 O-C-N 124.453 1.095 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 70.5 m-80 -148.28 161.54 41.3 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.467 0.746 . . . . 0.0 109.202 -179.888 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.62 100.94 2.57 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.613 1.196 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 50.06 2.4 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.434 1.755 . . . . 0.0 110.962 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.3 119.72 31.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.93 148.94 7.92 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.342 1.026 . . . . 0.0 111.075 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.808 HG13 HD12 ' A' ' 110' ' ' ILE . 14.6 p -97.77 137.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.56 94.31 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.614 1.196 . . . . 0.0 109.366 179.872 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.999 HG23 HD21 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -79.26 139.79 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.2 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.957 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.542 ' HD2' ' HB3' ' A' ' 24' ' ' ALA . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.033 -0.41 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.719 ' HB ' HD22 ' A' ' 26' ' ' LEU . 1.3 p 54.94 -145.89 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.221 179.93 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.649 ' HB2' HD21 ' A' ' 97' ' ' LEU . . . -77.11 122.39 24.92 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.2 p -143.8 144.93 32.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.465 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.993 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.7 t -76.94 134.12 29.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.217 -179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.559 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -41.69 -59.65 2.35 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 -179.956 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.993 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.11 -160.89 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.52 -44.85 0.68 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -80.74 68.18 6.89 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.945 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -61.3 -9.67 17.71 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.924 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.927 ' O ' HD12 ' A' ' 13' ' ' LEU . 4.2 pp -67.87 61.25 0.07 Allowed 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.498 0.763 . . . . 0.0 109.334 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -136.75 127.33 26.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.912 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 14' ' ' SER . 11.9 p-10 -33.78 94.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.58 1.175 . . . . 0.0 109.382 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 51.31 68.53 1.47 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.438 1.086 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.521 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 2.1 m -69.58 109.54 4.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.462 0.742 . . . . 0.0 110.377 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.717 HG22 HG23 ' A' ' 68' ' ' THR . 3.5 t -89.34 118.33 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.961 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -150.2 -171.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.927 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -113.01 137.15 51.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.943 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 6' ' ' THR . 86.0 t -110.78 105.16 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.98 130.01 35.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.49 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -105.84 109.12 3.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.127 . . . . 0.0 111.07 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.542 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . . . -92.99 110.78 22.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 0.79 . . . . 0.0 109.387 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.76 40.95 99.01 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.719 HD22 ' HB ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -86.13 -122.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 0.752 . . . . 0.0 109.373 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.686 ' N ' HD12 ' A' ' 26' ' ' LEU . 7.4 mm-40 -41.71 -24.48 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.461 1.1 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.523 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 56.95 56.34 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 93.73 -27.86 11.58 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.636 HG22 ' H ' ' A' ' 31' ' ' ALA . 2.7 m -65.3 -159.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 0.773 . . . . 0.0 110.441 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.905 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -153.28 129.24 10.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 109.271 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.746 ' CE1' ' HA ' ' A' ' 99' ' ' ASP . 1.5 m-30 -132.36 -167.63 1.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 111.021 179.918 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -117.81 117.74 30.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.855 HG21 HG21 ' A' ' 65' ' ' THR . 2.0 t -77.36 150.39 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.12 . . . . 0.0 109.234 -179.881 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.607 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 169.77 148.5 5.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.686 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -92.3 82.86 4.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.342 0.672 . . . . 0.0 110.32 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 t -92.73 151.59 19.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.19 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -171.42 171.78 5.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.466 ' CD1' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -77.21 122.49 25.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.995 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.571 HG23 ' HA ' ' A' ' 85' ' ' THR . 6.2 p -101.65 -49.07 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.203 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.496 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -89.52 -159.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -81.47 91.83 6.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.855 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.31 8.5 75.28 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.542 1.151 . . . . 0.0 111.044 -179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.496 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 6.4 t -96.48 112.25 28.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.628 0.84 . . . . 0.0 109.242 -179.951 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -75.32 120.49 20.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.934 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . . . -130.4 143.01 50.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 3.7 m -110.75 149.59 30.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.212 -179.876 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.579 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -82.51 171.94 10.67 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.943 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.53 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -74.88 -10.07 21.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.307 1.688 . . . . 0.0 111.051 179.903 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.23 13.56 32.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.607 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -89.03 9.22 26.03 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 9.0 m-85 -106.52 98.8 8.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.47 ' HB3' HG12 ' A' ' 34' ' ' VAL . 47.3 t -144.97 79.02 1.58 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.42 1.075 . . . . 0.0 109.961 -179.915 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.6 p -56.5 126.59 27.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.431 1.082 . . . . 0.0 109.987 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.744 HG21 ' HB ' ' A' ' 65' ' ' THR . 9.8 p -154.69 161.26 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.905 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -124.9 148.73 48.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.975 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -92.78 137.43 32.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.431 1.082 . . . . 0.0 109.401 179.844 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER -64.52 160.75 18.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.24 -37.89 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.38 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -87.96 38.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.41 1.069 . . . . 0.0 109.359 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.642 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.95 37.44 1.39 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.49 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 49.4 m -96.62 99.89 11.49 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.42 0.717 . . . . 0.0 109.926 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -102.9 87.15 2.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.8 p -95.62 81.2 3.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.077 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.855 HG21 HG21 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -107.76 133.54 52.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.922 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 34.4 p -92.74 138.36 31.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.944 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.864 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -153.66 167.45 29.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.864 ' H ' HD13 ' A' ' 67' ' ' LEU . 51.1 m -106.65 141.97 37.05 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.431 1.082 . . . . 0.0 110.442 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 17' ' ' THR . 21.8 t -88.18 87.37 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.382 1.051 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -87.02 72.6 10.04 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.512 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 4.6 ttm180 -45.69 -36.06 4.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.636 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 17.2 p -104.08 128.31 51.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.04 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 72' ' ' SER . 0.4 OUTLIER 160.58 126.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.427 1.079 . . . . 0.0 111.029 -179.943 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.675 ' CB ' HG23 ' A' ' 86' ' ' VAL . 17.1 tt0 -80.28 122.57 27.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -111.5 -140.19 8.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.423 1.077 . . . . 0.0 110.889 -179.878 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 47' ' ' CYS . 42.2 p90 -130.77 150.61 51.86 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.45 0.735 . . . . 0.0 110.951 -179.907 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.507 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 1.3 mt -88.15 175.47 7.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.401 179.887 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -60.1 -27.97 67.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 111.064 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.04 -59.66 2.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.112 . . . . 0.0 109.257 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.66 -27.92 0.2 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.499 ' HB ' HD12 ' A' ' 77' ' ' LEU . 32.1 m -40.25 130.43 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 0.781 . . . . 0.0 110.434 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -75.51 74.01 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.972 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.663 ' O ' ' N ' ' A' ' 75' ' ' GLY . 1.9 t90 -112.99 -79.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.661 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 55.8 132.69 0.01 OUTLIER Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.661 ' C ' ' O ' ' A' ' 84' ' ' GLY . 8.4 m 11.88 -81.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 0.712 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.675 HG23 ' CB ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER 86.26 -42.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.597 1.186 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -153.8 91.59 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.609 1.193 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.512 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -80.55 53.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.359 1.037 . . . . 0.0 108.295 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.5 t -92.46 -5.95 50.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 m -144.7 -46.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.433 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.86 135.03 43.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.378 1.049 . . . . 0.0 109.247 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.766 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -80.96 126.5 31.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.228 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.84 123.76 34.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.29 179.935 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.591 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 31.3 mt-30 -94.19 103.09 15.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.686 HG22 ' HB3' ' A' ' 36' ' ' GLN . 2.0 t -87.45 114.74 26.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 124.534 1.146 . . . . 0.0 109.197 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -166.1 171.27 41.13 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.77 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -98.47 120.96 39.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 0.818 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 104' ' ' GLY . 3.9 m -106.84 170.59 7.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.043 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.746 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -51.75 164.88 0.21 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.604 1.19 . . . . 0.0 109.233 -179.926 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.47 -30.75 42.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.0 10.99 14.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.561 1.163 . . . . 0.0 109.207 -179.934 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 99' ' ' ASP . . . 66.15 33.33 84.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.954 179.904 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.43 ' O ' ' OD2' ' A' ' 99' ' ' ASP . 66.4 m-20 -102.88 156.73 17.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.4 ' O ' ' OG ' ' A' ' 98' ' ' SER . . . 101.99 121.43 4.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.394 1.059 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 49.62 2.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.569 1.826 . . . . 0.0 111.046 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.49 121.22 33.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.408 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . 151.07 154.82 6.67 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 p -106.2 139.81 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.234 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.766 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -74.49 90.34 2.2 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.5 ' O ' ' CB ' ' A' ' 111' ' ' SER . 2.3 tp -90.17 153.3 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.756 ' O ' HD23 ' A' ' 13' ' ' LEU . 1.6 m . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.006 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.941 ' HG2' HG21 ' A' ' 6' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.451 -0.983 0 N-CA-C 111.078 -0.393 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.632 ' HB ' HD22 ' A' ' 26' ' ' LEU . 25.4 p 40.7 -122.61 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.471 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -85.54 127.69 34.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 109.329 -179.909 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.941 HG21 ' HG2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -149.8 143.38 25.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.613 1.195 . . . . 0.0 110.346 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.895 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.0 t -74.49 130.79 35.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.49 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.12 -55.94 1.27 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 0.0 110.363 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.895 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.97 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.605 1.845 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 m -137.55 -52.91 0.66 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 111' ' ' SER . 88.3 p -77.54 90.37 3.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.419 1.074 . . . . 0.0 109.938 -179.926 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.531 ' CA ' HG11 ' A' ' 69' ' ' VAL . . . -65.79 -4.64 20.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.106 . . . . 0.0 111.052 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 111' ' ' SER . 1.0 OUTLIER -72.53 54.08 0.32 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 0.759 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -130.52 121.15 25.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.93 179.968 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' A' ' 14' ' ' SER . 1.8 t70 -34.61 93.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.332 179.905 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 40.51 69.72 0.45 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.401 1.063 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.48 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.3 OUTLIER -75.4 122.36 23.68 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.449 0.735 . . . . 0.0 110.404 -179.956 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.747 HG13 ' OG1' ' A' ' 68' ' ' THR . 1.9 t -94.16 121.97 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.741 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -148.2 -171.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -119.55 136.05 54.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.902 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.709 ' HB ' HG23 ' A' ' 65' ' ' THR . 2.7 t -99.96 113.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -87.67 127.23 35.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.212 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.753 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -103.86 109.0 3.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 0.0 111.058 179.862 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.43 89.98 3.16 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.48 0.753 . . . . 0.0 109.354 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.94 32.4 6.5 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.632 HD22 ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -88.89 -136.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 0.785 . . . . 0.0 109.369 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.996 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 7.3 mm-40 -61.46 91.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.29 81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.375 1.047 . . . . 0.0 109.193 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 82.52 4.83 89.97 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.411 1.07 . . . . 0.0 111.074 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.555 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -89.88 -178.21 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 0.807 . . . . 0.0 110.341 -179.934 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.696 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -141.51 112.65 7.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.434 1.084 . . . . 0.0 109.203 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.763 ' HB2' HD12 ' A' ' 97' ' ' LEU . 6.8 m-30 -116.62 -169.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.485 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -118.93 114.67 22.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.751 HG21 HG21 ' A' ' 65' ' ' THR . 2.5 t -73.9 146.97 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.647 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 170.08 149.99 6.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.713 ' HG3' HG13 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -92.54 100.0 12.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.634 0.844 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.628 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 3.9 t -106.27 168.98 8.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 108.329 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 167.94 162.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 109.376 -179.95 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 14.3 p90 -75.24 109.7 8.96 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.954 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.649 HG21 ' CD1' ' A' ' 83' ' ' TRP . 8.8 p -86.84 -52.33 11.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.515 ' N ' HG13 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -89.53 -169.61 2.54 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.33 1.019 . . . . 0.0 109.231 -179.938 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.499 ' O ' HG23 ' A' ' 44' ' ' VAL . 17.2 m -59.89 94.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.47 18.57 30.44 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.533 1.146 . . . . 0.0 110.914 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.602 HG11 HD22 ' A' ' 77' ' ' LEU . 48.6 t -92.53 105.77 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.419 0.717 . . . . 0.0 109.362 179.908 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.71 106.72 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.569 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -121.17 148.26 44.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.429 ' O ' ' HA3' ' A' ' 75' ' ' GLY . 13.2 m -115.82 153.82 30.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 108.31 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -82.34 172.69 8.98 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 124.428 1.08 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.585 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.05 -11.63 21.39 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.81 18.73 21.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.647 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -87.25 7.22 29.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -108.3 101.74 10.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.613 1.195 . . . . 0.0 110.978 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.49 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 23.1 t -151.34 80.56 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.1 p -49.34 129.15 18.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.913 HG21 ' CB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -150.46 160.34 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.696 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -136.06 147.02 47.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.996 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -107.48 145.73 32.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -70.96 157.4 38.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 0.0 109.337 179.981 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.92 -26.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.618 1.199 . . . . 0.0 109.337 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 58' ' ' ASP . 20.2 t-20 -87.1 34.59 0.68 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.13 36.04 1.89 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.296 0.998 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 1.3 m -97.88 96.75 8.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 0.703 . . . . 0.0 109.962 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.753 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . . . -96.29 88.9 4.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.395 1.06 . . . . 0.0 109.408 179.887 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.6 p -88.35 81.55 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.087 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.913 ' CB ' HG21 ' A' ' 55' ' ' VAL . 10.0 t -106.09 169.86 8.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 -179.887 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 87.4 p -150.89 143.85 24.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.695 1.247 . . . . 0.0 109.851 -179.911 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.488 HD13 ' OG ' ' A' ' 53' ' ' SER . 5.6 tp -166.36 176.5 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 179.915 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.747 ' OG1' HG13 ' A' ' 18' ' ' VAL . 18.4 m -108.41 143.48 37.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.64 1.213 . . . . 0.0 110.461 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.531 HG11 ' CA ' ' A' ' 12' ' ' GLY . 14.1 t -88.47 86.42 2.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 109.339 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.656 ' O ' ' CE2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -87.09 71.53 10.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.392 1.058 . . . . 0.0 110.23 -179.869 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.498 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 3.0 tmm_? -35.81 -37.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 73' ' ' PHE . 97.6 p -104.05 134.88 46.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.682 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER 163.08 119.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.715 ' CB ' HG23 ' A' ' 86' ' ' VAL . 29.3 tt0 -77.87 116.12 18.13 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 179.878 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -105.22 -146.78 15.08 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.54 1.15 . . . . 0.0 110.919 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.543 ' CD2' ' O ' ' A' ' 77' ' ' LEU . 3.3 p90 -130.02 152.07 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 111.058 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.602 HD22 HG11 ' A' ' 44' ' ' VAL . 1.1 mt -89.84 174.31 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.209 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -62.94 -22.93 67.14 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.586 1.179 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -79.37 -57.4 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.247 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.58 -25.2 0.28 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.494 1.122 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.453 ' HB ' ' CD1' ' A' ' 77' ' ' LEU . 2.9 m -47.18 133.84 11.51 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 124.475 0.75 . . . . 0.0 110.553 179.919 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -80.04 76.09 6.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.6 1.188 . . . . 0.0 110.359 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.649 ' CD1' HG21 ' A' ' 40' ' ' VAL . 1.6 t90 -111.09 -84.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.01 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.679 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 56.51 121.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.423 1.077 . . . . 0.0 111.023 -179.904 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.642 ' O ' HG12 ' A' ' 86' ' ' VAL . 47.2 m 16.51 -81.74 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 124.502 0.766 . . . . 0.0 110.445 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.715 HG23 ' CB ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER 87.96 -34.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.656 1.222 . . . . 0.0 109.387 -179.984 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.465 ' CG ' ' CG2' ' A' ' 89' ' ' THR . 8.4 t0 -159.78 93.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.381 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.498 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -69.86 61.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 108.23 -179.898 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.465 ' CG2' ' CG ' ' A' ' 87' ' ' ASP . 33.9 p -105.52 -5.8 19.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.589 1.181 . . . . 0.0 110.356 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.0 m -150.08 -45.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 -179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.42 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -74.49 135.24 42.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.607 1.192 . . . . 0.0 109.237 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.26 107.7 18.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.54 ' SG ' HG21 ' A' ' 85' ' ' THR . 0.6 OUTLIER -87.6 125.59 34.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.627 1.204 . . . . 0.0 108.327 179.993 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 94' ' ' GLN . 2.5 pt20 -100.23 119.64 38.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.396 179.889 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.713 HG13 ' HG3' ' A' ' 36' ' ' GLN . 1.8 t -89.49 120.27 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.379 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.07 174.77 44.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -105.72 128.56 53.76 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 0.777 . . . . 0.0 109.326 179.912 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.481 ' CB ' ' HB3' ' A' ' 105' ' ' PRO . 55.2 p -97.26 163.67 12.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -86.68 158.99 19.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.376 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.39 11.44 14.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.924 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -104.08 -22.91 13.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.64 52.94 2.86 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 105' ' ' PRO . 88.5 m-20 -116.07 152.35 33.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 0.816 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -33.89 95.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.434 1.084 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.481 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 18.4 Cg_endo -75.09 139.68 24.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.78 142.16 28.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.17 156.04 27.36 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.424 1.078 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.684 HG21 HG22 ' A' ' 6' ' ' THR . 0.8 OUTLIER -106.06 124.23 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 0.735 . . . . 0.0 109.226 -179.963 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.0 93.54 0.2 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.472 HD13 HG13 ' A' ' 108' ' ' VAL . 1.2 tp -92.74 142.43 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.596 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.557 0 O-C-N 124.586 1.179 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.439 ' C ' HG23 ' A' ' 4' ' ' THR . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 111.05 -0.404 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.521 ' HB ' HD22 ' A' ' 26' ' ' LEU . 1.1 p 52.11 -153.65 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.791 ' HB2' HD11 ' A' ' 97' ' ' LEU . . . -75.47 128.04 34.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.383 179.904 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.594 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.6 OUTLIER -149.48 179.14 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 -179.941 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.8 HG13 HG21 ' A' ' 19' ' ' VAL . 4.6 t -114.58 127.34 72.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.779 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -35.7 -69.7 0.16 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.934 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.898 ' CG ' HG11 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.01 -160.91 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.573 1.828 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -139.37 -45.23 0.45 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.432 1.083 . . . . 0.0 109.956 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -62.74 74.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.959 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.921 ' HA2' HG11 ' A' ' 69' ' ' VAL . . . -61.56 -8.92 15.61 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.549 ' CD1' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -78.81 51.67 1.13 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.41 0.712 . . . . 0.0 109.354 179.931 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -126.15 120.67 30.72 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.407 1.067 . . . . 0.0 109.98 179.959 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' SER . 21.5 p-10 -36.1 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 39.51 69.81 0.39 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.606 HG23 HG13 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -77.33 117.61 19.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 0.0 110.424 179.95 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -85.58 114.25 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.355 179.923 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.898 HG11 ' CG ' ' A' ' 9' ' ' PRO . 33.8 m -134.66 -171.69 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.213 -179.891 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -113.23 134.68 54.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.594 ' HA ' ' O ' ' A' ' 6' ' ' THR . 4.9 t -109.74 102.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.45 133.17 33.79 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.356 1.035 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -123.09 77.21 0.35 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.43 1.081 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.0 125.09 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.424 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 89.25 15.33 59.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.88 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.521 HD22 ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -84.77 -146.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 -179.933 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.766 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 3.5 mt-30 -76.11 84.33 2.96 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.694 1.247 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 59' ' ' ALA . . . -66.18 115.51 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.51 -22.78 35.46 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.472 1.108 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.486 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.11 -177.81 5.0 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.549 0.793 . . . . 0.0 110.388 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.808 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -148.81 154.79 40.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.383 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 1.245 ' CE1' HD22 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -150.33 -169.03 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.406 1.066 . . . . 0.0 110.975 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.2 m-20 -108.89 116.78 32.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.021 HG21 HG21 ' A' ' 65' ' ' THR . 43.1 t -79.26 130.49 36.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.62 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 179.62 163.05 29.73 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.632 1.207 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.544 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -96.23 101.63 13.31 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.527 0.78 . . . . 0.0 110.257 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 5.7 t -108.11 154.12 22.16 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.478 1.111 . . . . 0.0 108.319 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 175.62 170.8 0.35 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.421 1.076 . . . . 0.0 109.345 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.5 p-90 -75.56 112.79 12.27 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.683 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -102.62 -50.91 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.177 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.525 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 0.6 OUTLIER -91.35 170.2 10.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.487 ' C ' ' O ' ' A' ' 41' ' ' ASP . 97.5 m -31.9 96.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.381 1.051 . . . . 0.0 110.255 -179.924 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 40.22 27.17 0.13 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.146 . . . . 0.0 110.954 179.897 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.049 HG11 HD23 ' A' ' 77' ' ' LEU . 2.1 t -100.37 118.27 46.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.215 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -68.39 107.99 3.07 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -121.35 137.76 54.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.215 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 34.4 m -101.31 154.69 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.206 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.782 ' ND2' ' CE2' ' A' ' 73' ' ' PHE . 17.6 m-20 -75.35 161.6 76.17 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.475 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.6 Cg_endo -74.93 -15.57 20.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.385 1.729 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.67 18.21 21.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.62 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.82 5.26 41.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 3.1 m-85 -96.72 86.72 4.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.3 t -137.37 74.55 1.49 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 109.904 -179.926 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 p -43.29 125.79 3.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.077 179.922 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.876 HG21 ' OG1' ' A' ' 65' ' ' THR . 2.1 t -147.66 164.76 6.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.808 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -133.37 160.51 37.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 179.924 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -105.92 138.19 42.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -67.88 155.66 38.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.459 ' O ' ' HB1' ' A' ' 28' ' ' ALA . . . -38.53 -31.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' A' ' 58' ' ' ASP . 5.9 t30 -88.41 35.34 0.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.373 1.046 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 38.03 42.76 1.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.478 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 73.6 m -113.3 106.78 15.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 0.741 . . . . 0.0 110.034 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.418 ' HB2' ' OH ' ' A' ' 32' ' ' TYR . . . -107.44 88.9 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.367 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -93.97 79.45 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.927 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 65' ' ' THR . . . . . 1.021 HG21 HG21 ' A' ' 34' ' ' VAL . 8.8 t -109.07 136.87 47.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 110.474 179.899 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.5 p -89.31 139.16 30.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.938 ' CD1' HG12 ' A' ' 34' ' ' VAL . 2.5 mt -143.2 165.53 27.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.9 t -105.65 134.46 48.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.921 HG11 ' HA2' ' A' ' 12' ' ' GLY . 40.4 t -89.61 83.32 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.755 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 24.3 mtt-85 -103.95 67.47 0.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.856 HH21 HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -37.25 -30.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 13.3 p -90.4 120.23 31.35 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.912 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.782 ' CE2' ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -177.02 170.41 2.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.455 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 20.6 tt0 -94.25 104.81 16.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.81 161.5 43.38 Favored Glycine 0 CA--C 1.532 1.142 0 O-C-N 124.393 1.058 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 80' ' ' GLY . 13.6 t80 -134.79 118.67 17.28 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.679 0.87 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.049 HD23 HG11 ' A' ' 44' ' ' VAL . 1.7 mp -55.59 136.9 49.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.504 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.7 t80 -60.82 -25.83 66.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.891 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -55.83 -50.5 70.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.576 ' O ' ' CE1' ' A' ' 76' ' ' PHE . . . 156.53 -24.46 0.51 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.43 ' O ' HD12 ' A' ' 77' ' ' LEU . 56.8 m -82.66 161.63 22.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 30.1 ptt180 -100.45 142.23 32.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 -179.934 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.683 ' CD1' HG13 ' A' ' 40' ' ' VAL . 55.3 t-105 -105.69 -89.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.66 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 141.24 -98.82 0.23 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.541 1.151 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.66 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 96.3 m 82.76 -50.77 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 110.443 -179.9 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.524 HG12 ' N ' ' A' ' 87' ' ' ASP . 98.3 t 72.99 -104.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.524 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -62.29 104.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 4.6 t -86.05 63.92 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 108.233 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.4 t -102.79 -22.27 13.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.598 1.186 . . . . 0.0 110.364 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.8 m -88.92 -47.22 8.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.435 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.418 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.66 143.78 26.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.53 98.6 11.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.639 1.212 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 21.3 m -75.9 132.83 40.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 108.328 179.934 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.488 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 10.8 mt-30 -102.65 118.16 36.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.544 HG22 ' HG2' ' A' ' 36' ' ' GLN . 2.6 t -87.86 112.04 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.207 -179.916 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -161.08 177.15 37.56 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.245 HD22 ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -106.08 131.53 53.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.631 0.842 . . . . 0.0 109.346 179.939 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 26.2 t -105.33 142.09 35.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.944 -179.94 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -74.78 159.88 31.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.82 2.26 53.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.494 ' HB3' ' OD1' ' A' ' 103' ' ' ASN . . . -95.86 -18.61 20.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.94 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.53 51.58 3.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.583 1.177 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.494 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 13.3 m120 -107.83 148.53 29.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 0.71 . . . . 0.0 109.246 -179.905 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.15 97.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.586 1.179 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.8 Cg_endo -74.84 126.62 10.19 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.526 1.803 . . . . 0.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.56 122.15 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.214 -179.931 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -131.84 153.15 20.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.544 1.153 . . . . 0.0 111.017 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 108' ' ' VAL . 2.9 p -104.52 116.35 48.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.478 0.752 . . . . 0.0 109.233 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.67 90.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.496 ' HA ' HD12 ' A' ' 110' ' ' ILE . 1.1 tp -93.84 138.93 19.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.44 1.087 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.549 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.92 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.715 ' C ' HG23 ' A' ' 4' ' ' THR . 18.0 Cg_endo . . . . . 0 N--CA 1.455 -0.765 0 N-CA-C 110.921 -0.453 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.715 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.1 p 67.43 -164.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.437 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.517 ' HB1' ' CG1' ' A' ' 21' ' ' VAL . . . -78.54 125.91 30.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.16 -179.884 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -134.52 143.86 47.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.462 179.967 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.672 HG13 ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -83.94 125.19 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.377 1.048 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.747 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -29.01 -69.62 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.384 -179.96 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.747 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.92 -160.82 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.638 1.862 . . . . 0.0 111.076 179.878 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -148.72 -71.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.398 1.061 . . . . 0.0 109.948 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.8 t -111.42 150.92 29.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.604 1.19 . . . . 0.0 109.926 -179.893 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.449 ' C ' HD23 ' A' ' 13' ' ' LEU . . . 91.08 37.85 6.18 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.517 1.135 . . . . 0.0 111.155 -179.878 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.644 HD12 HG23 ' A' ' 110' ' ' ILE . 2.3 mt -90.13 153.37 20.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 16' ' ' GLY . 6.6 t -120.82 154.83 35.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.432 ' HA ' ' N ' ' A' ' 71' ' ' ARG . 1.7 t0 -58.16 79.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 124.37 38.41 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.558 1.162 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.2 m -89.19 109.02 19.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.762 . . . . 0.0 110.429 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.408 ' H ' HG23 ' A' ' 18' ' ' VAL . 2.3 t -73.64 122.69 27.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.671 HG21 HG13 ' A' ' 7' ' ' VAL . 35.7 m -140.25 160.25 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.381 1.051 . . . . 0.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -95.85 124.63 39.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.517 ' CG1' ' HB1' ' A' ' 5' ' ' ALA . 53.3 t -98.99 100.32 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.585 1.178 . . . . 0.0 109.243 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -89.22 117.8 28.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 179.898 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.482 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -111.16 135.9 13.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.361 1.038 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.82 122.42 17.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 63.95 21.89 66.09 Favored Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.404 1.065 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.657 HD13 ' HB ' ' A' ' 4' ' ' THR . 45.2 tp -85.79 -98.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.614 0.832 . . . . 0.0 109.264 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.749 ' OE1' HD12 ' A' ' 97' ' ' LEU . 1.6 mp0 -47.61 -20.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.442 1.089 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 71.93 4.57 5.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.208 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 114.07 3.56 22.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 179.886 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.11 -161.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 0.74 . . . . 0.0 110.411 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.584 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -130.23 115.32 16.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.668 ' CD2' ' N ' ' A' ' 99' ' ' ASP . 4.9 m-85 -123.41 163.9 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.461 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 3.1 t70 -90.4 118.62 30.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.734 HG22 HD22 ' A' ' 97' ' ' LEU . 90.0 t -80.61 133.87 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.591 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 176.17 154.01 11.16 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.54 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.2 OUTLIER -92.44 100.03 12.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.796 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 3.3 t -105.73 153.59 21.65 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.482 1.114 . . . . 0.0 108.293 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 178.31 170.06 0.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.0 p-90 -77.49 114.66 16.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.567 ' CG1' ' HB3' ' A' ' 46' ' ' ALA . 8.9 p -95.31 -50.06 11.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.361 179.903 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.498 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 1.6 t0 -81.64 -158.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.93 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 42' ' ' THR . 1.5 m -83.73 84.62 7.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.386 1.054 . . . . 0.0 110.431 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.13 18.8 75.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.568 HG11 HD22 ' A' ' 77' ' ' LEU . 19.2 t -104.72 113.5 41.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.574 0.808 . . . . 0.0 109.218 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.42 HD13 ' C ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -72.27 107.11 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.883 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.567 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -117.9 145.12 44.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.5 m -107.95 155.71 20.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 108.285 179.97 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.473 ' O ' ' HB3' ' A' ' 51' ' ' ASP . 6.9 m-20 -79.0 163.55 59.59 Favored Pre-proline 0 N--CA 1.451 -0.407 0 O-C-N 124.396 1.06 . . . . 0.0 109.353 179.86 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.581 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.07 -16.93 19.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.66 16.86 24.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.261 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.591 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.76 11.39 15.51 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 1.6 m-85 -104.05 91.09 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.4 ' OG ' HD21 ' A' ' 67' ' ' LEU . 11.5 t -144.16 80.3 1.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.504 1.127 . . . . 0.0 109.938 -179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.03 115.85 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.957 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.651 HG21 ' CB ' ' A' ' 65' ' ' THR . 0.4 OUTLIER -136.28 162.16 36.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.596 1.185 . . . . 0.0 109.363 179.858 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.584 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -132.42 151.91 51.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 -179.885 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 1.053 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -107.81 156.2 19.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.608 1.192 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -68.31 157.75 34.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.31 -29.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 109.297 179.93 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.7 t30 -88.77 36.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.78 37.86 1.44 Allowed Glycine 0 CA--C 1.532 1.141 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.482 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.9 OUTLIER -99.81 99.78 10.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.618 0.834 . . . . 0.0 109.956 179.971 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 1.053 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.62 77.45 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.19 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -89.71 72.15 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.104 179.914 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.651 ' CB ' HG21 ' A' ' 55' ' ' VAL . 2.8 t -109.96 157.38 19.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 -179.954 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.7 p -117.61 145.24 44.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.349 1.03 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.451 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -148.61 175.36 11.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.616 1.198 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.451 ' H ' HD13 ' A' ' 67' ' ' LEU . 16.4 m -105.18 129.97 53.45 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.561 1.163 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.622 HG11 HD12 ' A' ' 13' ' ' LEU . 19.1 t -87.67 92.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.912 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.432 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 1.3 mmt180 -86.92 74.16 9.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.483 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 1.7 ttm180 -40.02 -39.15 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.627 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 14.9 t -104.16 133.36 49.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.618 1.199 . . . . 0.0 109.944 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 72' ' ' SER . 0.4 OUTLIER 160.29 127.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.535 ' HA ' HG23 ' A' ' 86' ' ' VAL . 37.1 tt0 -82.02 106.89 14.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.676 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -93.5 -142.11 11.59 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CE2' ' HG2' ' A' ' 82' ' ' ARG . 11.1 m-85 -129.67 151.78 49.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 0.776 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.568 HD22 HG11 ' A' ' 44' ' ' VAL . 1.2 mt -90.5 177.47 6.36 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.411 1.07 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -64.08 -27.94 69.44 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.613 1.196 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.64 -60.82 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.5 -27.13 0.2 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.488 HG22 HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -42.72 157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 110.337 -179.996 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.46 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 3.9 mtp-105 -98.77 77.52 2.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.676 ' O ' ' N ' ' A' ' 75' ' ' GLY . 1.8 t90 -112.66 -83.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.657 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 55.11 130.68 0.01 OUTLIER Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 84' ' ' GLY . 1.6 m 15.83 -82.79 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.603 0.825 . . . . 0.0 110.319 -179.942 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.657 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.4 OUTLIER 88.55 -40.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 109.204 179.927 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 89' ' ' THR . 10.5 t0 -159.39 89.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.243 -179.944 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.483 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -69.13 62.04 0.12 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.386 1.054 . . . . 0.0 108.342 179.92 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 87' ' ' ASP . 14.7 t -104.26 -11.89 16.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 0.0 110.426 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.0 m -143.29 -44.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.374 1.046 . . . . 0.0 110.442 179.92 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.4 138.52 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.897 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.964 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -89.81 108.96 20.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.2 m -83.33 123.75 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.399 1.062 . . . . 0.0 108.343 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.54 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 14.3 mt-30 -90.81 111.34 22.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.148 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 3.6 t -87.14 111.58 21.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.544 ' C ' HD23 ' A' ' 97' ' ' LEU . . . -161.23 170.81 37.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.4 1.063 . . . . 0.0 111.071 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.874 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -105.87 117.5 34.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 0.729 . . . . 0.0 109.37 179.879 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.419 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 3.7 p -104.61 147.93 27.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.668 ' N ' ' CD2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -44.56 163.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 -179.942 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.9 3.41 22.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.396 1.06 . . . . 0.0 109.231 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.4 ' HB3' ' OD1' ' A' ' 103' ' ' ASN . . . -94.1 -19.19 21.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.615 1.197 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.86 52.22 2.48 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.515 1.134 . . . . 0.0 111.113 -179.871 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 5.2 p-10 -149.87 164.52 35.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.48 104.36 2.0 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.475 1.109 . . . . 0.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.15 50.66 2.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.449 1.763 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.499 ' HG2' HD11 ' A' ' 26' ' ' LEU . 1.6 mt-10 -90.6 126.04 35.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.4 ' C ' ' HB3' ' A' ' 94' ' ' GLN . . . 158.58 145.83 4.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 110' ' ' ILE . 3.6 p -105.58 129.24 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.35 0.676 . . . . 0.0 109.35 179.902 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.964 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -64.45 81.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.931 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.644 HG23 HD12 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -104.97 141.17 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.9 p . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' A' ' 24' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.716 HG22 ' C ' ' A' ' 25' ' ' GLY . 42.9 p -50.78 -175.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.892 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -52.13 122.48 8.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.366 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.8 143.58 49.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.039 HG13 ' HB ' ' A' ' 19' ' ' VAL . 4.7 t -83.83 119.35 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.73 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -61.82 -67.84 0.97 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 110.484 179.899 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.813 ' HG2' HG12 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.0 52.81 3.16 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.509 1.794 . . . . 0.0 111.054 179.911 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.437 ' HA ' HD23 ' A' ' 13' ' ' LEU . 8.6 p -87.92 -2.23 58.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.935 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 12' ' ' GLY . 11.0 t -85.19 124.52 31.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.99 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 33.07 47.16 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.581 1.176 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.653 HD21 ' N ' ' A' ' 111' ' ' SER . 1.0 OUTLIER -59.85 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.43 0.724 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -136.46 153.14 51.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.007 -179.967 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.476 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 0.6 OUTLIER -63.56 82.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.975 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.52 ' C ' ' CG2' ' A' ' 68' ' ' THR . . . 121.71 32.25 1.04 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 179.916 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.492 ' C ' HG23 ' A' ' 68' ' ' THR . 1.1 m -95.38 130.44 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -73.39 115.84 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.039 ' HB ' HG13 ' A' ' 7' ' ' VAL . 20.7 m -119.85 160.32 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.612 1.195 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -109.43 118.19 36.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.235 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.892 HG12 ' HB1' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -99.92 86.46 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.944 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -120.94 132.72 55.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.512 ' HA3' ' O ' ' A' ' 4' ' ' THR . . . 177.56 -169.28 41.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.526 ' HA ' ' O ' ' A' ' 61' ' ' GLY . . . -145.79 150.05 35.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.348 -179.932 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.716 ' C ' HG22 ' A' ' 4' ' ' THR . . . 117.35 14.04 7.22 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.633 HD12 ' H ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -105.25 -141.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 0.712 . . . . 0.0 109.375 179.986 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.887 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.6 mm100 -53.78 92.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.863 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . -59.12 79.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.428 1.08 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 82.51 3.28 90.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.515 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.77 -175.18 4.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 0.747 . . . . 0.0 110.371 -179.998 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.809 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -141.67 114.45 8.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.378 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.634 ' CZ ' ' NE2' ' A' ' 27' ' ' GLN . 4.5 m-30 -116.63 179.14 4.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -96.44 113.88 25.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.175 . . . . 0.0 109.338 -179.93 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.616 HG23 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -80.69 137.89 20.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 -179.88 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.587 ' HA3' ' O ' ' A' ' 51' ' ' ASP . . . 178.44 157.97 20.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.332 1.02 . . . . 0.0 110.997 179.94 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.525 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -92.7 99.38 12.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 0.764 . . . . 0.0 110.214 -179.894 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 3.3 t -106.23 151.84 24.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.385 1.053 . . . . 0.0 108.404 179.888 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 178.38 155.14 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.425 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 34.3 p90 -57.87 110.86 0.99 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.527 1.142 . . . . 0.0 108.048 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.003 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -97.33 -42.53 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.424 1.078 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.489 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -90.4 -160.63 0.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 42' ' ' THR . 2.2 m -66.45 76.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 0.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.35 14.98 74.71 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.605 1.19 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.721 HG11 HD13 ' A' ' 77' ' ' LEU . 77.9 t -92.38 116.01 32.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.535 0.785 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.5 mt -61.99 102.42 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.003 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -114.53 136.54 52.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 28.2 m -100.85 156.54 17.31 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 108.306 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.502 ' ND2' ' OE1' ' A' ' 36' ' ' GLN . 3.3 m120 -84.74 165.68 36.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.602 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.08 -12.69 21.37 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.787 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.7 14.95 26.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.065 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.599 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -89.77 12.35 17.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -107.24 91.34 3.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.971 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.557 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -151.68 86.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.991 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.504 ' O ' HG23 ' A' ' 55' ' ' VAL . 6.4 t -37.26 149.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.913 ' CG2' HG21 ' A' ' 65' ' ' THR . 2.3 t -154.96 147.85 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.924 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.809 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -131.39 132.94 44.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.44 179.933 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.887 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -103.27 141.84 35.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.655 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -60.08 158.99 10.13 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.566 1.166 . . . . 0.0 109.374 179.946 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.52 -33.19 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 109.383 179.926 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' ASP . 34.1 t30 -87.88 34.73 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.78 37.19 2.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.64 1.212 . . . . 0.0 111.081 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.432 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -93.1 108.27 19.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 0.793 . . . . 0.0 110.05 179.937 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 5' ' ' ALA . . . -105.28 106.06 16.38 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 4.1 m -110.85 62.13 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.051 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.913 HG21 ' CG2' ' A' ' 55' ' ' VAL . 35.2 m -110.08 150.14 29.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.1 p -126.94 147.67 50.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.035 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.38 179.45 8.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.52 ' CG2' ' C ' ' A' ' 16' ' ' GLY . 85.4 m -105.27 128.79 53.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.473 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.727 HG11 HG21 ' A' ' 110' ' ' ILE . 19.4 t -86.73 89.38 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.851 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.509 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -86.96 66.61 9.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.353 179.957 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.426 ' HD2' ' CA ' ' A' ' 89' ' ' THR . 21.1 ttp180 -39.18 -37.27 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.476 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 4.7 p -80.88 124.53 29.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 110.047 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.531 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 167.52 171.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 179.978 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.496 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 8.6 tt0 -81.04 122.41 27.28 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.479 1.112 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.73 150.86 40.31 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.416 1.073 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 2.4 t80 -136.02 113.53 10.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.743 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.85 HD21 ' HB2' ' A' ' 83' ' ' TRP . 3.2 mt -55.18 152.93 7.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -80.01 -29.57 39.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.363 1.04 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -48.11 79.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.34 -27.32 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.558 ' HB ' HD12 ' A' ' 77' ' ' LEU . 11.6 m -78.67 163.39 25.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 110.403 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -117.78 146.52 43.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.85 ' HB2' HD21 ' A' ' 77' ' ' LEU . 66.1 t-105 -101.82 -86.96 0.41 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.494 1.121 . . . . 0.0 108.001 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.597 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 135.41 -113.81 1.15 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.732 ' C ' HG23 ' A' ' 86' ' ' VAL . 4.3 m 89.31 -63.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.609 0.829 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.732 HG23 ' C ' ' A' ' 85' ' ' THR . 2.7 t 84.82 -14.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -141.54 96.92 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 14.7 t -82.1 54.18 2.44 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.467 1.104 . . . . 0.0 108.33 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.426 ' CA ' ' HD2' ' A' ' 71' ' ' ARG . 7.0 t -96.34 -13.26 23.41 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.912 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 91' ' ' ALA . 9.8 t -88.36 -54.32 4.25 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.395 1.06 . . . . 0.0 110.506 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.519 ' N ' HG23 ' A' ' 90' ' ' THR . . . -91.79 136.07 33.43 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 179.862 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.425 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -68.43 116.58 9.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.459 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -88.28 126.25 35.08 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.435 1.084 . . . . 0.0 108.264 -179.965 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 29.9 mt-30 -105.98 120.75 42.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.381 1.051 . . . . 0.0 110.235 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.719 HG21 HG12 ' A' ' 110' ' ' ILE . 1.7 t -89.43 111.43 22.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -157.19 172.93 34.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.713 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -106.37 122.26 45.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.4 m -87.91 159.3 18.41 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.561 ' CG ' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.78 166.51 20.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.583 1.177 . . . . 0.0 109.377 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.99 8.29 15.73 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -99.74 -63.61 1.11 Allowed 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.1 40.89 0.07 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.563 1.164 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.431 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 0.4 OUTLIER -151.69 132.5 14.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 0.724 . . . . 0.0 109.388 179.862 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 146.33 73.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.902 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 0.03 9.42 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.544 1.813 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.23 138.44 55.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.9 143.13 5.68 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.418 1.074 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.769 HG13 HD13 ' A' ' 110' ' ' ILE . 2.8 p -68.76 128.97 33.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.574 0.808 . . . . 0.0 109.191 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.6 98.87 0.92 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.935 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.807 HD11 ' CB ' ' A' ' 7' ' ' VAL . 0.6 OUTLIER -84.58 129.9 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.653 ' N ' HD21 ' A' ' 13' ' ' LEU . 1.9 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.371 1.044 . . . . 0.0 110.091 179.952 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.803 0 N-CA-C 110.945 -0.444 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.96 ' O ' HG23 ' A' ' 6' ' ' THR . 19.2 p 40.11 -154.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.518 ' HA ' ' CA ' ' A' ' 23' ' ' GLY . . . -45.74 132.69 8.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.96 HG23 ' O ' ' A' ' 4' ' ' THR . 50.4 p -139.47 166.57 24.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 110.351 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.634 HG13 ' HD2' ' A' ' 9' ' ' PRO . 2.5 t -120.08 121.55 66.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.232 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.717 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -32.74 -67.66 0.18 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.473 179.907 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.966 ' HG3' HG11 ' A' ' 19' ' ' VAL . 18.6 Cg_endo -74.87 -162.0 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 179.913 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -139.45 -43.19 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.923 -179.974 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 111' ' ' SER . 58.3 m -64.43 73.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 10' ' ' SER . . . -49.65 -32.1 16.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -76.45 69.26 2.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.665 ' O ' ' C ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -132.41 78.84 1.83 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.501 1.126 . . . . 0.0 109.871 -179.932 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.665 ' C ' ' O ' ' A' ' 14' ' ' SER . 10.4 p-10 15.88 63.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.49 ' O ' ' CG2' ' A' ' 68' ' ' THR . . . 52.59 69.47 1.18 Allowed Glycine 0 CA--C 1.532 1.153 0 O-C-N 124.582 1.176 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.506 HG22 HG12 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -71.69 136.77 47.39 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.668 0.864 . . . . 0.0 110.324 -179.928 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.786 HG22 HG23 ' A' ' 68' ' ' THR . 1.8 t -104.01 119.61 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.966 HG11 ' HG3' ' A' ' 9' ' ' PRO . 5.1 m -144.64 -166.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.617 1.198 . . . . 0.0 109.307 179.914 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.64 141.64 35.69 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.61 ' HA ' ' O ' ' A' ' 6' ' ' THR . 10.5 t -113.18 85.31 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.4 129.9 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.518 ' CA ' ' HA ' ' A' ' 5' ' ' ALA . . . -121.29 122.08 5.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.68 101.44 12.62 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.594 0.82 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.536 ' O ' ' O ' ' A' ' 26' ' ' LEU . . . 96.57 38.16 4.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.414 1.071 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.964 HD13 ' HB3' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -56.88 -140.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.752 . . . . 0.0 109.215 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.586 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 44.5 tp60 -82.38 40.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 74.93 -9.7 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 109.241 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.746 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 120.47 8.16 8.58 Favored Glycine 0 CA--C 1.527 0.804 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.66 HG22 ' H ' ' A' ' 31' ' ' ALA . 4.3 m -60.35 -152.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.373 0.69 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.66 ' H ' HG22 ' A' ' 30' ' ' THR . . . -137.57 136.91 38.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.909 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 5.6 m-30 -150.68 -178.52 6.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 24.6 t70 -102.1 111.25 23.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.602 1.189 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.784 HG23 HD23 ' A' ' 97' ' ' LEU . 1.1 t -76.12 143.08 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 0.0 109.351 179.917 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.616 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 168.92 161.21 18.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.515 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -95.06 103.43 15.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 0.711 . . . . 0.0 110.271 179.905 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 3.6 t -107.16 154.42 21.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.618 1.199 . . . . 0.0 108.358 179.844 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.491 ' HB1' ' O ' ' A' ' 92' ' ' ALA . . . 176.19 159.65 0.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.497 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 21.4 p-90 -59.07 98.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.995 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -82.75 -47.61 18.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.704 ' HB2' HD11 ' A' ' 77' ' ' LEU . 7.7 t0 -91.02 -150.21 0.23 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.147 . . . . 0.0 109.357 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.5 m -77.34 88.84 3.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 179.944 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.59 24.27 63.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.89 ' CG1' HD12 ' A' ' 77' ' ' LEU . 47.6 t -103.75 100.99 11.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.523 0.779 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.79 87.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.995 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -100.13 153.1 19.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.869 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 3.8 m -113.62 151.36 31.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 108.326 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.545 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -75.86 170.12 17.4 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.59 1.181 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.638 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.91 -11.28 21.65 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.521 1.801 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.23 14.22 25.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.616 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -89.22 8.31 30.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.638 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -107.45 94.86 5.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.641 1.213 . . . . 0.0 111.08 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.851 ' CB ' HD11 ' A' ' 67' ' ' LEU . 4.4 t -150.9 85.76 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.896 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -48.88 142.43 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.632 1.207 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.797 HG21 ' HB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -164.69 173.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.611 1.194 . . . . 0.0 109.27 179.958 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.646 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -145.07 158.28 43.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 179.988 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.862 ' HB2' HD22 ' A' ' 26' ' ' LEU . . . -104.93 149.59 25.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.376 1.048 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.9 OUTLIER -68.24 159.26 31.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.61 -37.39 0.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.378 -179.956 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -87.34 38.39 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.334 1.021 . . . . 0.0 109.228 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.38 41.0 2.87 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.492 1.12 . . . . 0.0 110.867 179.872 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 53.5 m -103.96 98.3 8.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.964 ' HB3' HD13 ' A' ' 26' ' ' LEU . . . -104.33 96.63 6.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 p -106.11 77.78 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.797 ' HB ' HG21 ' A' ' 55' ' ' VAL . 5.7 t -108.38 130.53 55.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.284 -179.924 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.0 p -91.68 131.81 36.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.064 . . . . 0.0 110.079 179.877 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.851 HD11 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -149.41 179.79 7.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 -179.957 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.786 HG23 HG22 ' A' ' 18' ' ' VAL . 22.8 m -105.91 132.15 52.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.421 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.707 ' O ' HG13 ' A' ' 69' ' ' VAL . 7.7 p -89.95 85.44 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -92.83 118.34 31.0 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.364 1.04 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.684 ' HD2' HG22 ' A' ' 89' ' ' THR . 42.1 ttp180 -90.04 -33.93 16.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.582 1.176 . . . . 0.0 110.386 179.956 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.561 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 83.3 p -96.08 114.98 26.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.609 1.193 . . . . 0.0 109.96 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -177.86 165.96 2.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.545 1.153 . . . . 0.0 110.885 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.427 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 0.8 OUTLIER -81.11 110.27 16.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.605 1.191 . . . . 0.0 110.227 -179.951 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.45 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -80.22 161.82 45.53 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.602 1.189 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 42.7 m-85 -130.37 133.28 46.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 111.041 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.89 HD12 ' CG1' ' A' ' 44' ' ' VAL . 1.1 mm? -71.27 138.71 49.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.391 1.057 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.69 -25.78 65.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 179.891 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -52.93 -53.7 45.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.629 1.205 . . . . 0.0 109.345 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.36 -26.43 0.35 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.2 m -84.24 166.53 17.44 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.577 0.81 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 3.8 ptp180 -110.02 141.48 42.77 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.583 1.177 . . . . 0.0 110.192 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.864 ' HB2' HD21 ' A' ' 77' ' ' LEU . 37.7 t-105 -103.37 -89.98 0.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.487 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 148.38 -77.64 0.24 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.434 1.084 . . . . 0.0 111.079 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.814 ' CB ' HG22 ' A' ' 40' ' ' VAL . 7.5 m 67.7 -55.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 0.0 110.369 179.901 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.562 HG12 ' N ' ' A' ' 87' ' ' ASP . 88.7 t 71.68 -104.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.562 ' N ' HG12 ' A' ' 86' ' ' VAL . 1.1 t0 -59.07 91.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.401 179.93 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 52.6 t -75.57 59.85 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 108.277 -179.9 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.684 HG22 ' HD2' ' A' ' 71' ' ' ARG . 54.8 p -102.81 -15.92 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 -179.931 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.534 HG23 ' N ' ' A' ' 91' ' ' ALA . 9.1 t -88.96 -55.06 3.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.432 179.909 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.534 ' N ' HG23 ' A' ' 90' ' ' THR . . . -91.42 135.5 33.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.491 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -72.43 118.71 15.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.344 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.46 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -90.64 121.98 33.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 0.0 108.267 179.927 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.503 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 3.3 pt20 -103.15 122.13 44.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.515 HG22 ' HG2' ' A' ' 36' ' ' GLN . 1.9 t -87.86 114.34 26.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.6 179.15 39.5 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.572 1.17 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.784 HD23 HG23 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -106.45 125.9 51.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 0.72 . . . . 0.0 109.34 179.919 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 99.1 p -85.12 154.23 22.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.598 1.186 . . . . 0.0 109.961 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.594 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -88.82 162.35 16.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.97 14.34 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.93 -84.84 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 174.15 47.54 0.05 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -137.33 157.38 46.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.43 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -136.91 62.03 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.444 1.09 . . . . 0.0 111.062 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.5 Cg_endo -74.86 -37.89 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.438 ' HG2' ' CD1' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -85.53 147.53 26.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.227 -179.868 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.95 119.7 2.09 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 8.5 p -106.18 122.45 59.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.78 88.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.921 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.514 ' O ' ' CB ' ' A' ' 111' ' ' SER . 2.4 tp -92.1 160.24 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 109.953 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.77 ' HB ' HD23 ' A' ' 26' ' ' LEU . 1.2 p 45.43 -170.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.455 179.944 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.406 ' N ' ' HA2' ' A' ' 23' ' ' GLY . . . -65.26 111.01 2.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.098 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.404 HG22 HG21 ' A' ' 108' ' ' VAL . 1.0 OUTLIER -149.13 146.96 27.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 110.431 -179.958 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.895 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.0 t -74.43 135.74 26.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.479 1.112 . . . . 0.0 109.214 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.545 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -41.93 -59.37 2.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.402 179.967 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.015 ' HG3' HG11 ' A' ' 19' ' ' VAL . 18.0 Cg_endo -74.92 -160.34 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.534 1.808 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 111' ' ' SER . 0.6 OUTLIER -137.99 -45.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.456 ' HA ' ' HB3' ' A' ' 111' ' ' SER . 0.5 OUTLIER -71.72 59.81 0.34 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.447 1.092 . . . . 0.0 110.019 179.966 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -46.31 -29.06 3.52 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.62 1.2 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.913 HD23 ' O ' ' A' ' 111' ' ' SER . 2.2 pp -59.93 77.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.569 0.805 . . . . 0.0 109.346 179.915 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.573 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -150.33 130.26 13.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 110.106 -179.983 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -35.84 92.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 38.73 67.26 0.57 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.504 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.3 OUTLIER -70.78 123.33 21.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.741 . . . . 0.0 110.363 179.976 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -92.53 115.94 32.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.015 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -142.32 -171.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.403 1.065 . . . . 0.0 109.309 179.943 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 6.9 pttt -115.3 132.54 56.58 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.647 1.217 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -106.66 104.84 17.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.936 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -87.43 131.11 34.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.224 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -118.81 75.44 0.3 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.25 130.22 35.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.403 0.707 . . . . 0.0 109.246 -179.916 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 55.5 35.72 62.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.588 1.18 . . . . 0.0 111.057 -179.951 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.77 HD23 ' HB ' ' A' ' 4' ' ' THR . 3.3 tm? -106.65 -96.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.627 ' CG ' ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -47.89 -22.15 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.618 1.199 . . . . 0.0 110.393 179.951 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 74.53 -2.27 2.86 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.368 1.043 . . . . 0.0 109.41 -179.92 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 120.69 -2.91 12.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.418 1.074 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.518 HG22 ' H ' ' A' ' 31' ' ' ALA . 1.7 m -67.44 -155.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 0.815 . . . . 0.0 110.436 -179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.527 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -138.9 114.81 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.392 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.627 ' CD1' ' CG ' ' A' ' 27' ' ' GLN . 8.4 m-85 -131.11 152.5 50.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.549 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 1.2 t70 -96.66 128.49 43.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.584 HG23 ' CD2' ' A' ' 97' ' ' LEU . 2.2 p -76.58 141.73 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.653 1.221 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.95 109.79 0.26 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.42 1.075 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.612 HE21 ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -60.85 102.98 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -104.66 152.32 22.62 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.523 1.139 . . . . 0.0 108.271 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.487 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 177.62 157.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.382 1.051 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.541 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 34.6 p-90 -61.86 85.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.051 HG22 ' CG2' ' A' ' 85' ' ' THR . 0.3 OUTLIER -77.52 -48.15 24.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.489 1.118 . . . . 0.0 109.194 -179.91 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.551 ' HB3' HG23 ' A' ' 44' ' ' VAL . 6.0 t0 -74.36 -151.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.935 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.722 ' O ' HG23 ' A' ' 42' ' ' THR . 12.0 t -84.97 60.66 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 110.459 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.66 10.37 53.21 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.785 HG11 HD23 ' A' ' 77' ' ' LEU . 2.8 t -97.71 114.33 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.32 89.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.615 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -95.93 140.48 30.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 31.4 m -97.82 153.24 18.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.609 1.193 . . . . 0.0 108.299 179.938 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.612 ' CB ' HE21 ' A' ' 36' ' ' GLN . 5.4 m120 -94.03 122.45 61.82 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.421 179.958 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.495 ' CD ' ' O ' ' A' ' 74' ' ' GLU . 18.1 Cg_endo -74.93 6.25 3.47 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.549 1.815 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.77 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . . . -105.72 4.14 29.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.213 179.99 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.553 ' HB2' ' CD ' ' A' ' 36' ' ' GLN . 14.1 t70 -127.07 15.34 7.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 2.9 m-85 -82.73 111.53 18.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 111.062 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.476 ' HB3' HG12 ' A' ' 34' ' ' VAL . 4.7 t -153.01 99.13 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.92 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.549 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 63.4 p -58.8 132.15 53.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 110.048 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.611 HG21 ' OG1' ' A' ' 65' ' ' THR . 47.3 t -152.45 164.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.241 -179.904 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.527 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -130.72 162.8 28.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 1.017 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -107.55 154.01 22.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.24 179.958 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -77.34 159.06 29.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.612 1.195 . . . . 0.0 109.327 -179.902 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.94 -27.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.934 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.464 ' N ' ' C ' ' A' ' 58' ' ' ASP . 1.4 t-20 -88.1 32.25 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.648 1.217 . . . . 0.0 109.359 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.05 44.23 5.78 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.463 1.102 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -110.53 101.64 10.3 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.535 0.785 . . . . 0.0 110.011 -179.991 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 1.017 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.52 93.9 4.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.8 p -94.9 87.71 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 110.047 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.624 HG21 HD22 ' A' ' 97' ' ' LEU . 14.4 t -105.85 119.3 38.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.38 1.05 . . . . 0.0 110.44 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 6.2 p -102.95 136.4 42.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.884 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.761 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -168.25 179.94 4.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.416 1.072 . . . . 0.0 109.254 179.926 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.761 ' H ' HD13 ' A' ' 67' ' ' LEU . 12.5 t -102.04 139.39 37.73 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.601 1.188 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 17' ' ' THR . 3.4 p -88.04 88.48 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.581 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -88.79 101.04 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.24 -179.919 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 88' ' ' CYS . 5.7 ttm-85 -81.18 -24.17 37.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 62.0 p -95.26 106.08 18.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.77 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER 175.43 170.49 0.33 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.566 1.166 . . . . 0.0 111.077 -179.964 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.495 ' O ' ' CD ' ' A' ' 49' ' ' PRO . 3.4 tt0 -79.27 128.23 33.05 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.629 1.206 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.37 160.11 41.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -118.11 103.6 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 0.795 . . . . 0.0 110.893 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.785 HD23 HG11 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -83.9 175.95 9.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.405 1.066 . . . . 0.0 109.359 179.897 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -90.21 -33.49 16.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.398 1.061 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -97.34 -24.23 15.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 -179.974 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.547 ' O ' ' C ' ' A' ' 81' ' ' THR . . . -142.75 58.36 0.55 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.58 1.175 . . . . 0.0 111.047 179.881 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.653 HG23 ' H ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -25.49 -93.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 110.429 -179.904 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.653 ' H ' HG23 ' A' ' 81' ' ' THR . 3.9 ptm180 -53.2 84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.599 ' CB ' HD13 ' A' ' 77' ' ' LEU . 14.4 t-105 -96.46 -87.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 107.971 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 161.41 -114.14 0.6 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.582 1.176 . . . . 0.0 111.055 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 85' ' ' THR . . . . . 1.051 ' CG2' HG22 ' A' ' 40' ' ' VAL . 6.7 m 83.55 -57.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.453 0.737 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 87' ' ' ASP . 96.1 t 70.86 -103.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.557 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -66.01 105.79 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.392 1.057 . . . . 0.0 109.385 179.939 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.512 ' O ' ' CD ' ' A' ' 71' ' ' ARG . 4.0 t -89.59 64.39 6.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 108.405 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.79 -8.3 19.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.855 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.5 m -89.3 -56.9 3.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.272 0.982 . . . . 0.0 110.376 -179.947 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.5 139.09 31.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.561 1.163 . . . . 0.0 109.37 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.83 114.73 9.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.931 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.487 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -84.72 125.09 32.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 108.26 179.982 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.4 pt20 -104.93 119.17 38.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.529 HG22 ' HB3' ' A' ' 36' ' ' GLN . 3.4 t -89.05 129.59 39.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.491 ' C ' HD23 ' A' ' 97' ' ' LEU . . . -171.75 173.48 45.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.395 1.059 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.624 HD22 HG21 ' A' ' 65' ' ' THR . 0.1 OUTLIER -103.27 124.78 49.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.434 0.726 . . . . 0.0 109.236 -179.952 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.457 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 27.7 p -105.12 162.85 13.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.491 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -95.27 161.27 14.17 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.554 1.159 . . . . 0.0 109.19 -179.939 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.87 16.56 7.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.482 ' HB3' ' OD1' ' A' ' 103' ' ' ASN . . . -105.96 -24.94 12.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.28 54.15 2.04 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.596 1.185 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.482 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 17.4 m120 -116.47 148.09 41.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.586 0.816 . . . . 0.0 109.284 -179.921 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.22 98.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.055 179.894 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.438 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 18.5 Cg_endo -74.99 140.1 25.1 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.792 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.504 ' CB ' HD21 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -91.12 114.86 27.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.98 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -137.32 150.29 20.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.572 1.17 . . . . 0.0 110.948 -179.891 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 1.6 p -104.71 131.58 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.391 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.6 97.74 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.379 1.05 . . . . 0.0 109.215 -179.911 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.453 ' CG1' ' HA3' ' A' ' 12' ' ' GLY . 6.6 tp -69.17 157.41 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.913 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.559 0 O-C-N 124.471 1.107 . . . . 0.0 110.062 179.905 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.433 ' C ' HG23 ' A' ' 4' ' ' THR . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.511 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.3 p 53.33 -159.11 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.447 ' HB2' HD22 ' A' ' 26' ' ' LEU . . . -69.84 125.57 27.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.401 ' HA ' ' HB ' ' A' ' 108' ' ' VAL . 1.2 p -150.46 146.73 26.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.35 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.728 HG13 HG21 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -75.59 130.66 35.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.378 179.935 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.819 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -37.37 -73.09 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.362 -179.959 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.819 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.87 -98.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.412 1.743 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.431 ' O ' HG13 ' A' ' 110' ' ' ILE . 7.6 m -154.91 -26.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.89 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.543 ' CB ' HG21 ' A' ' 69' ' ' VAL . 1.2 m 49.01 -175.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.52 ' HA3' HG23 ' A' ' 110' ' ' ILE . . . 86.34 -43.49 3.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.427 1.079 . . . . 0.0 110.973 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -44.56 -32.63 1.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 0.783 . . . . 0.0 109.387 -179.969 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.4 t -132.03 122.78 26.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.656 1.222 . . . . 0.0 110.024 179.909 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.435 ' C ' ' HA ' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -65.31 63.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 160.09 32.45 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.563 1.165 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 m -89.44 110.17 21.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 0.721 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 t -90.0 119.11 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.217 -179.955 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.728 HG21 HG13 ' A' ' 7' ' ' VAL . 34.5 m -138.22 -177.99 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.919 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -103.41 130.77 50.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.483 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.5 t -107.38 98.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.232 -179.919 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.55 131.36 36.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.511 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -116.76 98.49 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.339 1.025 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.24 108.48 19.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.78 . . . . 0.0 109.238 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.39 34.39 45.53 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.51 1.131 . . . . 0.0 111.071 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.058 HD21 HD11 ' A' ' 97' ' ' LEU . 4.6 tp -61.52 -120.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.584 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 1.3 tp60 -79.89 24.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 76.3 -11.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 179.874 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.684 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 129.62 -2.26 6.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 -179.91 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.488 HG22 ' H ' ' A' ' 31' ' ' ALA . 1.5 m -59.05 -156.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 0.709 . . . . 0.0 110.347 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.488 ' H ' HG22 ' A' ' 30' ' ' THR . . . -131.49 144.31 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 109.427 179.801 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.972 ' OH ' HD23 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -151.61 -173.02 4.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.939 -179.951 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.509 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 22.2 t0 -106.7 108.5 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.918 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.654 HG23 ' HB3' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -79.68 142.08 14.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.927 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.614 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 167.28 161.01 15.59 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.6 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -95.04 102.03 13.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 0.787 . . . . 0.0 110.259 -179.995 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 3.8 t -107.06 154.71 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 108.338 179.908 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.48 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 179.03 164.69 0.88 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.921 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.405 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 56.1 p-90 -72.55 115.08 11.39 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.914 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.718 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -99.9 -47.43 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.183 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.614 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.2 OUTLIER -87.49 -165.35 1.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.949 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 44' ' ' VAL . 21.8 m -59.35 87.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.43 20.83 31.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.556 1.16 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.635 HG11 HD13 ' A' ' 77' ' ' LEU . 61.4 t -95.72 116.41 37.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.79 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.9 108.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.818 ' HB2' HD23 ' A' ' 77' ' ' LEU . . . -121.26 134.66 55.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.1 m -99.34 155.92 17.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 108.233 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 73' ' ' PHE . 1.5 m120 -83.75 167.61 27.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.4 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.66 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.03 -12.41 21.45 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.451 1.764 . . . . 0.0 111.059 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.13 13.72 27.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.604 1.19 . . . . 0.0 109.223 179.991 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.614 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -89.62 7.26 37.42 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.574 1.171 . . . . 0.0 109.366 179.869 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.66 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.7 m-85 -106.51 91.51 3.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.429 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -149.58 90.86 1.75 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.528 1.142 . . . . 0.0 109.97 -179.911 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.0 p -48.64 121.63 4.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.735 HG12 ' HE1' ' A' ' 32' ' ' TYR . 19.0 t -136.75 149.47 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.207 179.956 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.472 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -130.35 157.95 41.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.367 -179.926 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.684 ' HB3' ' HA2' ' A' ' 29' ' ' GLY . . . -105.5 148.25 27.42 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.639 ' O ' ' N ' ' A' ' 61' ' ' GLY . 1.4 m-20 -64.28 161.37 16.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.89 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.78 -37.71 0.36 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.498 1.123 . . . . 0.0 109.37 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -88.08 37.39 0.81 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.417 1.073 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.28 43.01 3.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -108.98 102.66 11.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.897 -179.885 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.587 ' HB2' ' OH ' ' A' ' 32' ' ' TYR . . . -105.76 93.84 4.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.23 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.9 p -102.27 71.89 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 179.964 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.599 HG21 HG22 ' A' ' 55' ' ' VAL . 85.7 m -109.14 136.27 48.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.2 p -98.47 135.71 39.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.079 -179.973 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.31 170.01 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.446 HG21 ' NH1' ' A' ' 70' ' ' ARG . 9.7 t -102.67 123.84 47.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 110.414 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.675 ' CG1' HG21 ' A' ' 110' ' ' ILE . 46.0 t -89.19 89.29 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 109.212 -179.901 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.685 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 2.9 mtt85 -98.28 74.69 2.22 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.573 1.17 . . . . 0.0 110.29 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.539 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -38.06 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.978 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.502 ' C ' ' CG ' ' A' ' 73' ' ' PHE . 3.2 m -89.42 136.2 33.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.073 179.908 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.685 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 162.87 178.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.06 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.613 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 30.4 tt0 -93.25 105.51 17.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.388 1.055 . . . . 0.0 110.282 -179.852 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.76 161.57 48.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.577 1.173 . . . . 0.0 111.081 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.613 ' CE2' ' O ' ' A' ' 74' ' ' GLU . 10.8 m-85 -142.19 131.81 23.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 0.717 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.138 HD12 HG23 ' A' ' 81' ' ' THR . 21.2 mt -69.8 148.52 49.01 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -76.12 -24.27 54.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.67 -50.23 68.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.263 -179.863 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.76 -25.07 0.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 81' ' ' THR . . . . . 1.138 HG23 HD12 ' A' ' 77' ' ' LEU . 2.5 t -87.46 154.77 20.38 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.551 0.795 . . . . 0.0 110.463 179.889 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.57 148.16 26.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.397 1.061 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.718 ' CD1' HG13 ' A' ' 40' ' ' VAL . 41.4 t-105 -106.43 -85.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 108.002 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.503 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 127.3 -74.58 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.945 ' O ' HG22 ' A' ' 86' ' ' VAL . 1.6 m 68.29 -59.21 0.45 Allowed 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.456 0.739 . . . . 0.0 110.472 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.945 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 82.6 -24.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.389 1.056 . . . . 0.0 109.175 179.85 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.757 ' H ' HG22 ' A' ' 85' ' ' THR . 13.2 t0 -144.25 105.8 4.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.959 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 7.8 t -91.22 50.6 1.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 108.291 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.8 m -89.29 -16.09 31.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.447 179.977 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.4 m -87.03 -52.05 5.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.382 1.051 . . . . 0.0 110.538 179.841 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.431 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.44 144.04 26.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.51 111.38 13.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 179.934 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.48 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -84.83 123.48 30.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 108.319 179.959 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 6.0 mt-30 -99.83 120.84 40.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.6 HG22 ' HG2' ' A' ' 36' ' ' GLN . 5.3 t -89.26 109.32 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.921 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -161.71 178.72 37.47 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.643 1.215 . . . . 0.0 111.052 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.058 HD11 HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -106.57 148.1 28.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.935 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.6 p -103.68 149.05 25.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.092 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.62 164.15 18.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.222 -179.819 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.08 23.29 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.1 -40.75 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 -179.933 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 123.86 46.52 0.26 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.425 1.078 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -143.47 153.78 42.98 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.572 0.807 . . . . 0.0 109.284 179.915 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.476 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -139.75 59.76 0.58 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.431 1.082 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.6 Cg_endo -74.91 -22.64 14.8 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.437 1.756 . . . . 0.0 111.007 179.913 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.588 ' HG2' HD11 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -86.95 152.06 22.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.398 179.923 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 144.72 115.6 1.01 Allowed Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.715 HG11 ' H ' ' A' ' 7' ' ' VAL . 8.2 p -82.48 132.99 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.397 0.704 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.26 92.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.675 HG21 ' CG1' ' A' ' 69' ' ' VAL . 0.9 OUTLIER -76.73 146.45 8.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.377 1.048 . . . . 0.0 109.379 179.945 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.2 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.087 -179.883 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.459 ' C ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.459 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.9 p 57.93 -169.49 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 110.415 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.523 ' HB2' HD13 ' A' ' 26' ' ' LEU . . . -55.83 104.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.45 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.426 HG22 ' CG2' ' A' ' 108' ' ' VAL . 1.1 p -140.17 148.79 42.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.178 . . . . 0.0 110.438 -179.904 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.744 HG13 HG21 ' A' ' 19' ' ' VAL . 3.6 t -80.57 126.57 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.796 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -30.95 -71.33 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 -179.96 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.913 ' CG ' HG11 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.0 -162.65 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 110.947 -179.907 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.449 ' O ' HD13 ' A' ' 110' ' ' ILE . 78.7 p -132.64 -45.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.872 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 111' ' ' SER . 3.4 m -69.72 62.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.371 1.045 . . . . 0.0 110.065 179.937 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.495 ' HA3' HG23 ' A' ' 110' ' ' ILE . . . -58.16 -12.33 11.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.586 1.179 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.88 ' O ' HD12 ' A' ' 13' ' ' LEU . 3.9 pp -69.0 59.07 0.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.508 0.77 . . . . 0.0 109.193 -179.876 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -131.26 123.11 27.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 109.933 -179.955 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 14' ' ' SER . 4.9 m-20 -33.12 93.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 45.54 69.29 0.81 Allowed Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.605 1.19 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.476 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -78.55 125.43 29.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 0.811 . . . . 0.0 110.429 179.947 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.558 HG13 ' OG1' ' A' ' 68' ' ' THR . 0.5 OUTLIER -91.05 117.11 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.913 HG11 ' CG ' ' A' ' 9' ' ' PRO . 7.6 m -139.87 -176.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.225 -179.935 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -117.32 130.49 56.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.398 179.97 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.463 HG22 HG22 ' A' ' 7' ' ' VAL . 67.9 t -100.35 102.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.387 1.054 . . . . 0.0 109.313 -179.923 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.13 124.51 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.918 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.488 ' HA2' ' N ' ' A' ' 5' ' ' ALA . . . -110.68 67.71 0.22 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.606 1.191 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.57 131.67 41.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 70.97 18.27 76.17 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.495 1.122 . . . . 0.0 111.06 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.523 HD13 ' HB2' ' A' ' 5' ' ' ALA . 1.4 tp -74.43 -145.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.443 0.731 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.518 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 3.5 mm-40 -89.89 78.14 6.85 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.436 1.085 . . . . 0.0 110.175 -179.937 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.706 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . -59.36 133.48 56.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.622 1.201 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.93 -26.84 8.93 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.936 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.433 ' O ' ' OG1' ' A' ' 56' ' ' THR . 0.1 OUTLIER -89.83 -179.19 5.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.429 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.861 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -153.83 146.47 24.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.382 1.051 . . . . 0.0 109.361 179.929 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 16.6 m-85 -149.51 178.48 8.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 14.7 t0 -105.66 118.53 36.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.782 HG21 HG21 ' A' ' 65' ' ' THR . 1.5 t -81.2 146.58 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.627 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 177.86 162.39 27.76 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.882 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.21 88.89 5.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 0.731 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 5.3 t -105.74 152.79 22.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.391 1.057 . . . . 0.0 108.195 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -178.39 170.13 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.395 179.953 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -86.72 115.22 24.03 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.023 HG21 ' CZ2' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -102.61 -49.77 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.505 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -85.03 -176.77 6.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.405 1.066 . . . . 0.0 109.267 -179.977 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 44' ' ' VAL . 21.2 m -48.66 93.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.383 179.935 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 50.36 20.2 3.44 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.719 HG11 HD13 ' A' ' 77' ' ' LEU . 88.4 t -91.86 112.13 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.366 0.686 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 0.3 OUTLIER -77.44 103.72 7.54 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.521 1.138 . . . . 0.0 109.208 -179.931 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.648 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . . . -115.07 142.65 46.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.3 m -107.81 147.57 30.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.611 1.194 . . . . 0.0 108.271 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.503 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -79.37 172.65 9.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.383 179.958 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.549 ' CD ' ' HB3' ' A' ' 73' ' ' PHE . 18.2 Cg_endo -74.93 -15.91 20.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.27 15.2 28.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.978 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.627 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.1 t70 -90.26 15.49 10.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 12.8 m-85 -109.68 102.29 11.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.567 1.167 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.41 ' HB3' HG12 ' A' ' 34' ' ' VAL . 7.9 t -148.68 79.29 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.027 179.956 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.447 ' N ' ' OD2' ' A' ' 33' ' ' ASP . 99.6 p -55.76 126.37 25.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.936 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.753 HG21 ' HB ' ' A' ' 65' ' ' THR . 9.7 p -154.43 172.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.07 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.861 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -139.22 168.5 19.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.375 -179.964 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -105.54 129.4 53.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.416 1.072 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -66.43 154.31 40.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -40.33 -29.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.252 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.439 ' N ' ' C ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -87.33 32.8 0.69 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.942 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.706 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . . . 39.4 43.14 2.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 111.059 -179.917 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.465 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -115.76 105.76 13.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.538 0.787 . . . . 0.0 109.97 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.427 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . . . -106.14 81.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.951 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.3 p -91.46 87.7 6.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.587 1.179 . . . . 0.0 110.06 179.914 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.782 HG21 HG21 ' A' ' 34' ' ' VAL . 1.9 t -108.15 125.38 51.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.4 p -88.7 134.13 34.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.4 1.063 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.857 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -153.86 168.41 26.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.573 1.17 . . . . 0.0 109.309 -179.938 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.857 ' H ' HD13 ' A' ' 67' ' ' LEU . 63.8 m -106.6 140.88 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 179.956 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' THR . 39.2 t -88.74 80.05 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -88.25 63.33 7.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 28.4 ttp180 -43.63 -29.43 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 110.305 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -96.42 128.22 43.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 110.064 179.97 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.549 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 162.21 172.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.568 1.167 . . . . 0.0 110.973 -179.964 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.505 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 15.1 tt0 -85.62 115.58 23.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.388 1.055 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.63 ' C ' ' HB3' ' A' ' 83' ' ' TRP . . . -90.16 177.7 42.94 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.631 1.207 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.482 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 6.0 m-85 -146.92 149.49 33.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.59 0.817 . . . . 0.0 111.099 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.029 HD12 ' HB ' ' A' ' 81' ' ' THR . 12.6 mt -90.41 157.31 17.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -90.75 -23.92 20.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.072 -179.968 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -63.53 -49.72 72.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.9 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.81 -28.0 0.22 Allowed Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.441 1.088 . . . . 0.0 111.046 -179.952 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 81' ' ' THR . . . . . 1.029 ' HB ' HD12 ' A' ' 77' ' ' LEU . 57.5 m -75.52 172.3 12.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.61 0.829 . . . . 0.0 110.475 179.95 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.511 ' N ' HG22 ' A' ' 81' ' ' THR . 0.0 OUTLIER -106.12 157.51 17.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 1.023 ' CZ2' HG21 ' A' ' 40' ' ' VAL . 2.8 t90 -103.85 -89.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 108.084 179.909 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.705 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 96.57 -112.33 4.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.046 179.97 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.923 HG22 ' H ' ' A' ' 87' ' ' ASP . 3.8 m 77.53 -60.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.469 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.731 HG23 ' C ' ' A' ' 85' ' ' THR . 2.8 t 85.02 -13.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.923 ' H ' HG22 ' A' ' 85' ' ' THR . 44.9 t0 -142.69 97.4 3.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.413 1.071 . . . . 0.0 109.423 179.901 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 24.2 t -87.77 54.2 3.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 108.266 -179.935 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.6 t -98.09 -10.84 23.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 1.185 . . . . 0.0 110.469 179.926 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 m -88.77 -54.35 4.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 110.396 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.529 ' HB3' HG23 ' A' ' 40' ' ' VAL . . . -91.15 138.82 31.3 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -70.78 114.06 8.48 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.346 1.029 . . . . 0.0 109.225 -179.852 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.47 127.61 35.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.409 1.068 . . . . 0.0 108.25 -179.958 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 0.7 OUTLIER -105.82 122.19 45.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.948 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.882 HG22 ' HB3' ' A' ' 36' ' ' GLN . 21.4 t -90.12 119.9 38.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.77 -179.74 42.95 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.86 ' O ' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -104.7 140.48 37.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 0.763 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.0 p -106.78 156.11 19.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.972 -179.958 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.604 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -68.86 161.93 27.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.408 179.973 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.73 -0.53 57.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.91 -37.03 22.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.72 43.84 0.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -148.88 145.31 27.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.404 0.708 . . . . 0.0 109.211 -179.975 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.42 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -138.98 63.38 0.55 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.514 1.134 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.3 Cg_endo -75.16 -24.42 12.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.658 1.873 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.13 141.23 28.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.226 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 152.74 148.39 4.86 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.42 1.075 . . . . 0.0 110.965 179.916 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 0.9 OUTLIER -105.22 143.62 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.352 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.3 98.12 5.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 109.225 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.517 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -92.73 142.38 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.37 1.044 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.736 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.404 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.941 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.6 ' C ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.926 -0.451 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.805 ' HB ' HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER 51.13 176.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.521 1.138 . . . . 0.0 110.488 179.977 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.594 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -86.17 134.54 33.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.163 . . . . 0.0 109.349 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.72 ' C ' HG13 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -134.31 146.68 50.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.386 -179.969 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.643 HG13 HG21 ' A' ' 19' ' ' VAL . 2.8 t -71.25 122.27 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.761 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -34.4 -68.86 0.17 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.426 179.996 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.929 ' HG3' HG11 ' A' ' 19' ' ' VAL . 18.5 Cg_endo -74.81 -152.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 111.052 179.86 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.483 ' OG ' HD23 ' A' ' 13' ' ' LEU . 93.9 p -98.58 -26.96 14.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 11' ' ' SER . . . . . 1.016 ' HB3' HG21 ' A' ' 69' ' ' VAL . 0.4 OUTLIER 54.39 163.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.084 -179.909 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.28 -39.61 3.05 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.773 HD12 ' N ' ' A' ' 14' ' ' SER . 1.3 pp -62.88 -20.63 65.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 0.727 . . . . 0.0 109.258 179.946 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.773 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -146.82 110.98 5.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.936 -179.928 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.404 ' O ' ' OD2' ' A' ' 15' ' ' ASP . 2.4 p30 -69.45 53.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.329 1.018 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 14' ' ' SER . . . -175.11 24.31 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.372 1.045 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.632 ' HB ' HG12 ' A' ' 69' ' ' VAL . 3.0 m -91.74 105.85 18.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 0.798 . . . . 0.0 110.434 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.433 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 2.4 p -97.43 118.62 44.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.396 179.944 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.929 HG11 ' HG3' ' A' ' 9' ' ' PRO . 14.4 m -144.73 -162.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.229 179.991 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -123.25 142.07 51.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 0.0 109.246 -179.949 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.72 HG13 ' C ' ' A' ' 6' ' ' THR . 8.3 t -112.13 86.82 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.934 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -87.76 138.99 30.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.6 1.188 . . . . 0.0 109.278 -179.936 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.503 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -147.47 143.37 11.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.155 . . . . 0.0 111.041 -179.953 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -123.89 103.2 8.2 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.676 0.868 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.79 0.99 7.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.597 1.185 . . . . 0.0 111.054 -179.916 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.805 HD13 ' HB ' ' A' ' 4' ' ' THR . 9.0 tp -77.67 -141.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 0.783 . . . . 0.0 109.279 -179.911 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.968 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.1 mp0 -48.2 90.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.193 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.52 83.99 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 70.22 19.38 75.76 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.415 1.072 . . . . 0.0 111.083 -179.858 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.508 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.76 -178.09 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 0.723 . . . . 0.0 110.474 -179.981 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.711 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -145.85 100.75 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.185 -179.94 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.635 ' CD2' ' CG ' ' A' ' 27' ' ' GLN . 17.8 m-30 -116.47 171.24 7.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -90.65 119.51 30.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.183 -179.879 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.73 HG21 ' OG1' ' A' ' 65' ' ' THR . 0.5 OUTLIER -80.48 143.59 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.934 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.637 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 170.33 157.5 12.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.395 1.06 . . . . 0.0 110.941 179.931 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.76 ' CG ' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.46 91.31 7.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 0.788 . . . . 0.0 110.285 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.684 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 5.5 t -106.2 161.12 14.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 108.26 -179.997 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 164.38 171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 179.988 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.567 ' CD1' ' HG ' ' A' ' 45' ' ' LEU . 5.8 m-90 -66.39 102.8 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.542 ' CG2' ' N ' ' A' ' 41' ' ' ASP . 2.2 m -88.83 -53.46 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.347 1.029 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.542 ' N ' ' CG2' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -88.61 -165.69 1.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 179.946 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.2 m -68.12 91.51 0.36 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.511 179.916 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.19 15.79 61.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.491 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 19.0 t -97.45 107.92 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.536 0.786 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.567 ' HG ' ' CD1' ' A' ' 39' ' ' TRP . 0.3 OUTLIER -74.6 101.83 4.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.805 ' CB ' HD23 ' A' ' 77' ' ' LEU . . . -119.2 167.26 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.863 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 m -130.74 144.54 51.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.308 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.633 ' OD1' ' CZ ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -66.3 169.63 6.93 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.911 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.589 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.01 -11.65 21.46 Favored 'Trans proline' 0 C--N 1.362 1.248 0 O-C-N 124.401 1.737 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.55 16.32 24.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.429 1.081 . . . . 0.0 109.24 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.637 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -89.06 8.19 31.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.634 1.209 . . . . 0.0 109.26 -179.946 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.589 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -108.81 90.52 3.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 111.03 -179.968 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.625 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -151.01 85.14 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.94 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 3.7 t -39.52 152.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.706 1.254 . . . . 0.0 110.025 -179.951 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.909 HG21 ' HB ' ' A' ' 65' ' ' THR . 3.4 p -168.59 146.4 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.52 1.138 . . . . 0.0 109.256 -179.917 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.711 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -130.45 150.55 51.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.552 179.842 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.968 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -108.72 155.58 20.57 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.402 1.064 . . . . 0.0 109.303 -179.901 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.517 ' N ' ' OD2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -77.47 156.54 31.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.597 1.185 . . . . 0.0 109.286 179.915 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.75 -26.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.601 1.188 . . . . 0.0 109.322 179.914 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.455 ' N ' ' C ' ' A' ' 58' ' ' ASP . 26.7 t-20 -87.21 33.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 44.39 35.69 4.0 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.43 1.081 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -90.05 94.73 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 110.066 179.952 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.12 100.58 12.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.959 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 75.3 p -107.83 81.23 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 109.965 -179.933 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.909 ' HB ' HG21 ' A' ' 55' ' ' VAL . 9.7 t -104.73 118.66 37.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -110.61 141.17 44.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.014 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 tp -168.97 -175.25 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.45 HG23 ' HG3' ' A' ' 70' ' ' ARG . 12.4 t -107.49 136.39 47.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.016 HG21 ' HB3' ' A' ' 11' ' ' SER . 3.6 p -89.49 95.43 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.654 1.221 . . . . 0.0 109.26 -179.89 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.683 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 1.2 mtt-85 -95.5 67.1 2.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.1 . . . . 0.0 110.416 179.933 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.574 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 3.2 ttm180 -30.38 -38.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.421 1.076 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -96.35 134.12 39.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.086 179.958 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.709 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER 161.69 130.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 -179.973 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 83' ' ' TRP . 55.5 tt0 -87.28 105.6 17.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.576 1.173 . . . . 0.0 110.342 179.938 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.616 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -96.88 -145.79 19.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.483 ' HA ' ' O ' ' A' ' 81' ' ' THR . 8.2 m-85 -131.83 148.43 52.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.89 HD12 ' HB ' ' A' ' 81' ' ' THR . 1.3 mt -92.34 174.86 7.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.237 179.988 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.463 ' CD1' HG13 ' A' ' 44' ' ' VAL . 2.4 p90 -64.79 -29.23 70.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.54 -43.26 90.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.228 -179.939 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.77 -5.08 4.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.627 1.204 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.89 ' HB ' HD12 ' A' ' 77' ' ' LEU . 1.3 m -65.69 163.41 16.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.459 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -103.59 73.55 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.196 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.69 ' O ' HG22 ' A' ' 86' ' ' VAL . 5.6 t-105 -112.27 -81.78 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 107.968 179.94 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.728 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 55.7 87.08 0.02 OUTLIER Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.574 1.171 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.779 ' C ' HG23 ' A' ' 86' ' ' VAL . 1.0 OUTLIER 48.43 -76.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.401 0.707 . . . . 0.0 110.477 179.986 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.779 HG23 ' C ' ' A' ' 85' ' ' THR . 2.6 t 87.48 -40.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 89' ' ' THR . 4.9 t0 -156.56 81.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.378 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.493 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -68.3 60.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.438 1.087 . . . . 0.0 108.355 179.958 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 87' ' ' ASP . 13.9 t -88.01 -8.6 55.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.506 1.129 . . . . 0.0 110.508 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.2 m -150.24 -43.75 0.13 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.34 143.5 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.408 1.068 . . . . 0.0 109.329 179.934 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.14 111.65 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.385 1.053 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.12 128.18 37.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.362 1.039 . . . . 0.0 108.303 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.506 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 26.5 mt-30 -95.43 111.45 23.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.76 HG13 ' CG ' ' A' ' 36' ' ' GLN . 1.5 t -88.6 103.08 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.394 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.476 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -157.48 176.52 34.61 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.379 1.049 . . . . 0.0 111.002 -179.928 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.756 HD13 HG13 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -108.68 123.36 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.627 0.839 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -103.67 148.58 25.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.998 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.579 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -41.66 161.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 179.919 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.11 -11.36 58.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.414 ' HB3' ' OD1' ' A' ' 103' ' ' ASN . . . -87.73 -19.13 28.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.65 45.97 5.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.616 1.198 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.414 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -138.17 144.07 40.55 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 0.738 . . . . 0.0 109.317 -179.936 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.19 112.4 3.1 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.579 1.174 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 59.03 5.13 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.434 1.755 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.77 145.69 25.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.068 . . . . 0.0 110.228 -179.999 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.476 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . 131.64 156.38 8.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.434 1.084 . . . . 0.0 111.056 -179.996 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.809 HG13 HD12 ' A' ' 110' ' ' ILE . 1.0 OUTLIER -102.31 143.26 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.375 0.691 . . . . 0.0 109.338 -179.974 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.39 95.96 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.809 HD12 HG13 ' A' ' 108' ' ' VAL . 1.1 mp -78.88 159.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 109.246 -179.993 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.483 ' O ' ' O ' ' A' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 110.011 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.704 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . 175.51 172.03 0.3 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.704 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 18.5 Cg_endo -74.91 -6.57 18.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.047 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.551 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.3 p 60.75 -148.05 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.462 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.712 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -75.2 118.52 18.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.616 ' HA ' HG11 ' A' ' 108' ' ' VAL . 1.1 p -145.22 145.57 31.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.479 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.96 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.1 t -75.12 142.62 14.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.53 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -49.02 -58.18 9.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.37 1.044 . . . . 0.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.977 ' HG3' HG11 ' A' ' 19' ' ' VAL . 17.8 Cg_endo -75.0 -160.85 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.529 ' HA ' HD11 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -136.76 -46.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.386 1.054 . . . . 0.0 109.937 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 111' ' ' SER . 23.7 p -70.19 59.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.606 1.191 . . . . 0.0 110.049 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.513 ' HA3' HG23 ' A' ' 110' ' ' ILE . . . -50.48 -19.02 2.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.005 HD23 ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER -69.93 60.32 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.497 0.763 . . . . 0.0 109.24 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -130.03 126.57 38.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.087 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 14' ' ' SER . 1.4 m-20 -36.01 94.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 41.84 67.62 0.81 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.767 HG22 HG12 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -76.24 127.62 33.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.402 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.84 HG13 ' OG1' ' A' ' 68' ' ' THR . 1.3 t -98.25 123.19 50.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.977 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -150.9 -172.49 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -111.59 137.72 49.07 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.609 HG22 ' HA ' ' A' ' 7' ' ' VAL . 76.0 t -113.66 108.71 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.412 1.07 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.05 131.49 35.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -114.59 92.95 0.62 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.521 1.138 . . . . 0.0 111.083 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . -90.81 124.65 35.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.71 21.24 79.57 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.812 HD11 HD21 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -85.25 -142.64 0.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.357 0.681 . . . . 0.0 109.238 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.996 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.1 mm100 -54.69 89.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.24 84.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 79.69 0.9 85.97 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.522 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -89.17 -175.06 4.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 0.783 . . . . 0.0 110.34 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.818 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -146.51 149.26 33.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.685 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.4 m-30 -150.44 -167.33 2.79 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 72.8 m-20 -109.61 109.57 20.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.334 1.021 . . . . 0.0 109.382 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 65' ' ' THR . 1.2 t -78.37 140.74 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.601 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 173.01 160.68 22.04 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -93.95 101.08 13.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 0.0 110.376 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.624 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 4.8 t -106.97 150.3 26.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 108.353 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.512 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 177.37 168.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.362 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 45' ' ' LEU . 1.3 m95 -68.26 111.01 4.31 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.849 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -94.71 -46.1 13.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.605 ' OD2' ' CZ3' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -87.15 -162.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 m -64.86 76.27 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.344 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 72.36 14.25 77.06 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.454 1.096 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.717 HG11 ' HG ' ' A' ' 77' ' ' LEU . 27.0 t -90.05 116.34 31.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.569 0.806 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.761 HD11 H173 ' A' ' 130' ' ' NCZ . 3.6 tp -64.12 105.47 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.23 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.849 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -123.03 136.47 54.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.363 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.61 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 26.6 m -97.88 156.58 16.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.599 1.187 . . . . 0.0 108.229 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.448 ' O ' ' HB3' ' A' ' 51' ' ' ASP . 4.7 m-20 -79.84 162.64 61.75 Favored Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 124.419 1.074 . . . . 0.0 109.359 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.595 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 17.9 Cg_endo -75.11 -12.97 21.31 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.403 1.738 . . . . 0.0 110.951 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.26 14.24 25.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.601 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.47 10.86 16.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.595 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -106.61 91.85 3.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 111.003 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.529 ' HB3' HG12 ' A' ' 34' ' ' VAL . 28.8 t -150.52 91.47 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 110.08 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 53' ' ' SER . 25.4 p -33.17 148.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.055 . . . . 0.0 110.072 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.605 HG21 HG21 ' A' ' 65' ' ' THR . 0.3 OUTLIER -147.48 155.36 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.818 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -151.57 129.32 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 110.403 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.999 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -101.66 139.84 36.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.578 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -62.3 159.5 15.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.402 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.22 -29.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.437 ' N ' ' C ' ' A' ' 58' ' ' ASP . 13.0 t-20 -88.75 34.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.19 45.46 5.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.8 OUTLIER -109.15 97.74 7.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.593 0.819 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.999 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.14 84.11 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.7 m -93.25 80.58 4.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.898 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.802 HG21 HG21 ' A' ' 34' ' ' VAL . 15.1 t -107.05 138.65 42.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.585 1.178 . . . . 0.0 110.459 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.87 137.43 46.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.423 1.077 . . . . 0.0 110.135 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.81 177.81 11.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.84 ' OG1' HG13 ' A' ' 18' ' ' VAL . 95.4 m -106.68 135.73 47.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.156 . . . . 0.0 110.361 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.767 HG12 HG22 ' A' ' 17' ' ' THR . 12.3 p -87.57 87.72 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -87.76 78.19 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.474 ' HD3' ' CA ' ' A' ' 89' ' ' THR . 6.2 ttm180 -52.42 -33.24 42.99 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 2.5 p -93.41 134.08 36.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.59 1.181 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.515 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 162.26 177.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 27.0 tt0 -89.26 111.61 22.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.9 160.74 35.66 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.554 1.159 . . . . 0.0 111.044 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.498 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -138.23 128.27 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.0 111.02 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.731 HD12 ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -62.95 145.79 54.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.636 1.21 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 45' ' ' LEU . 3.4 p90 -76.04 -18.12 59.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.27 -48.17 82.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.386 1.054 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.6 -24.94 0.31 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.059 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 89.0 m -88.67 158.57 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 110.329 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 1.4 ptp180 -108.04 145.69 33.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.16 . . . . 0.0 110.426 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.624 ' CD1' HG13 ' A' ' 40' ' ' VAL . 73.7 t-105 -105.56 -91.22 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 108.033 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.474 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 138.99 -68.82 0.49 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.623 1.202 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.741 ' C ' HG23 ' A' ' 86' ' ' VAL . 1.2 m 67.04 -61.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.359 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.741 HG23 ' C ' ' A' ' 85' ' ' THR . 2.9 t 86.83 -35.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.495 ' N ' HG22 ' A' ' 85' ' ' THR . 0.7 OUTLIER -138.88 107.17 5.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.245 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 15.1 t -89.74 57.88 4.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 108.278 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.474 ' CA ' ' HD3' ' A' ' 71' ' ' ARG . 8.8 t -100.81 -13.34 18.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.7 m -88.48 -57.55 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -89.9 124.59 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.31 120.02 7.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.595 1.185 . . . . 0.0 109.292 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.99 126.52 35.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 108.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.475 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 25.3 mt-30 -97.32 116.33 29.33 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.467 HG22 ' HG2' ' A' ' 36' ' ' GLN . 3.4 t -87.82 110.22 20.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 109.234 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.52 -177.45 37.17 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.566 1.166 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.812 HD21 HD11 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -106.57 155.68 19.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.582 0.813 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -104.33 148.32 26.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.634 1.209 . . . . 0.0 109.885 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.616 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -94.54 159.23 15.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 1.178 . . . . 0.0 109.214 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.65 14.82 10.73 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.546 1.154 . . . . 0.0 109.238 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.34 -30.46 12.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.18 40.93 1.59 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.407 1.067 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.8 160.3 39.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 109.262 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -129.52 66.72 0.57 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -37.69 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.494 1.786 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.23 147.79 23.96 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 143.44 110.25 0.74 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.356 1.035 . . . . 0.0 111.047 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.616 HG11 ' HA ' ' A' ' 6' ' ' THR . 4.1 p -100.56 118.74 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.598 0.822 . . . . 0.0 109.292 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.03 87.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.422 1.077 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.529 HD11 ' HA ' ' A' ' 10' ' ' SER . 3.0 tp -86.29 153.44 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . 1.005 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER 157.69 -56.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 1.188 . . . . 0.0 109.925 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -151.62 124.95 8.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.191 . . . . 0.0 109.418 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.761 H173 HD11 ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.647 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -155.93 52.39 0.66 Allowed Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.456 1.097 . . . . 0.0 109.355 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.647 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.6 Cg_endo -75.03 -12.54 21.45 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.515 1.798 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.641 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.2 p 63.34 -146.63 0.34 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.622 ' H ' HD23 ' A' ' 26' ' ' LEU . . . -77.54 109.92 11.9 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.474 1.109 . . . . 0.0 109.43 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -146.07 148.67 32.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.887 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -81.39 139.96 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.487 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -38.83 -56.17 2.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.381 1.051 . . . . 0.0 110.39 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.887 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.95 -159.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.448 1.762 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.14 -58.31 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.493 ' CB ' ' HA ' ' A' ' 112' ' ' PHE . 0.2 OUTLIER -132.22 168.84 17.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.936 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.564 ' HA2' ' CZ ' ' A' ' 112' ' ' PHE . . . 74.66 31.4 58.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.569 1.168 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.704 HD22 HG21 ' A' ' 17' ' ' THR . 76.9 mt -88.83 165.66 14.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 0.774 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.8 t -127.78 153.04 47.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.09 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.28 83.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.342 1.027 . . . . 0.0 109.35 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 126.7 33.71 0.64 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.406 1.066 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.704 HG21 HD22 ' A' ' 13' ' ' LEU . 97.6 m -86.61 103.22 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.62 0.835 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.52 123.78 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.228 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.804 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -149.28 -177.76 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -103.49 134.75 46.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.364 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.6 t -114.66 103.02 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -87.93 134.26 33.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.13 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.448 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -120.14 66.38 0.42 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.442 1.088 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.85 118.22 17.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 72.84 41.76 48.2 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.622 HD23 ' H ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -104.93 -95.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.587 ' OE1' ' CD1' ' A' ' 32' ' ' TYR . 6.3 mm-40 -61.26 -13.48 19.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.401 1.063 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 68.61 8.48 6.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 118.58 -0.05 15.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.093 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.649 HG22 ' H ' ' A' ' 31' ' ' ALA . 3.0 m -80.43 -157.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.482 0.754 . . . . 0.0 110.46 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.649 ' H ' HG22 ' A' ' 30' ' ' THR . . . -140.89 114.84 9.08 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.565 1.165 . . . . 0.0 109.29 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.609 ' CE1' ' HA ' ' A' ' 99' ' ' ASP . 1.1 m-30 -123.24 -175.12 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.452 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.6 m-20 -102.74 127.45 49.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 0.0 109.301 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.748 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -90.53 131.72 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.64 ' O ' H182 ' A' ' 130' ' ' NCZ . . . -179.37 149.99 9.09 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.642 1.214 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.634 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -93.64 109.56 21.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.623 0.837 . . . . 0.0 110.38 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.573 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 0.6 OUTLIER -108.08 151.73 25.48 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.501 1.126 . . . . 0.0 108.288 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.58 ' HB1' ' O ' ' A' ' 92' ' ' ALA . . . -171.0 162.92 7.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.544 ' CD1' ' O ' ' A' ' 39' ' ' TRP . 18.4 p90 -74.36 110.43 8.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.667 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -98.09 -48.18 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.607 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 2.3 t0 -73.47 -154.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 42' ' ' THR . 14.7 t -78.51 54.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.068 . . . . 0.0 110.447 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.28 2.39 54.09 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.6 1.188 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 14.6 t -82.39 118.87 30.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.446 0.733 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 mt -68.64 100.16 1.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.477 ' HB2' HD23 ' A' ' 77' ' ' LEU . . . -109.52 144.86 37.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.652 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 4.9 m -108.93 153.17 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.607 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -86.99 178.95 1.96 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.667 1.229 . . . . 0.0 109.369 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -75.0 -16.31 20.27 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.562 1.822 . . . . 0.0 111.097 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.44 12.51 31.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.603 1.189 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.631 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.9 t70 -88.42 -0.87 57.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.607 1.192 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 5.1 m-85 -107.85 91.03 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.525 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -147.91 81.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.962 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' SER . 52.4 p -37.13 129.78 0.89 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.539 1.149 . . . . 0.0 110.046 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.846 ' CG2' HG21 ' A' ' 65' ' ' THR . 3.2 t -143.25 151.91 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.6 1.188 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.583 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -132.35 146.38 51.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.407 1.067 . . . . 0.0 110.478 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.481 ' CB ' ' HB2' ' A' ' 27' ' ' GLN . . . -99.12 137.6 37.41 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.654 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -58.69 159.35 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.359 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.79 -32.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.386 1.054 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 58' ' ' ASP . 38.6 t30 -88.56 35.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.37 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 39.64 43.45 2.26 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.621 1.201 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 19.3 m -116.29 103.86 10.91 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.583 0.814 . . . . 0.0 109.949 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -103.09 95.61 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.368 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.5 p -98.78 82.27 2.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.846 HG21 ' CG2' ' A' ' 55' ' ' VAL . 31.3 m -109.26 136.14 49.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.41 ' O ' HD22 ' A' ' 67' ' ' LEU . 89.3 p -90.42 125.48 35.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.494 HD23 HG11 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -137.5 163.64 30.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 17' ' ' THR . 5.3 t -106.08 137.31 44.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.348 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.514 HG21 HD13 ' A' ' 13' ' ' LEU . 21.2 t -89.35 87.08 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.691 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -95.19 70.86 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -36.73 -32.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -88.63 136.77 32.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.395 1.059 . . . . 0.0 110.022 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.691 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER 168.09 -178.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.462 1.101 . . . . 0.0 110.923 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -97.61 110.04 22.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.33 1.019 . . . . 0.0 110.353 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.66 145.85 34.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.619 ' CE1' ' O ' ' A' ' 77' ' ' LEU . 2.1 t80 -133.48 123.83 25.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 0.802 . . . . 0.0 111.002 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.787 HD21 ' HB2' ' A' ' 83' ' ' TRP . 7.5 mt -66.6 154.65 39.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -83.57 -27.62 29.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -56.89 -44.81 82.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.36 -21.63 0.74 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.602 1.189 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.707 ' HB ' HD12 ' A' ' 77' ' ' LEU . 45.2 m -82.55 158.55 23.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 0.798 . . . . 0.0 110.441 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -111.01 142.14 43.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.787 ' HB2' HD21 ' A' ' 77' ' ' LEU . 44.4 t-105 -101.44 -84.57 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 108.021 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.475 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 124.32 -74.48 0.4 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.587 1.179 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.73 ' C ' HG23 ' A' ' 86' ' ' VAL . 1.1 m 67.35 -62.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 0.716 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.73 HG23 ' C ' ' A' ' 85' ' ' THR . 3.3 t 88.55 -32.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.379 1.049 . . . . 0.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.572 ' H ' HG22 ' A' ' 85' ' ' THR . 29.2 t0 -138.42 115.89 11.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 13.0 t -88.99 55.87 3.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 108.342 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.7 t -96.06 -16.06 21.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 110.414 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.2 m -89.0 -56.81 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.456 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.65 156.75 17.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.19 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.58 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -88.81 122.41 32.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.679 1.237 . . . . 0.0 109.222 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.49 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -86.91 120.78 28.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.567 1.167 . . . . 0.0 108.339 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.501 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 20.3 mt-30 -99.41 116.12 30.83 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.634 HG22 ' HB3' ' A' ' 36' ' ' GLN . 41.8 t -88.88 123.75 41.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.096 . . . . 0.0 109.237 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -172.43 173.46 45.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.748 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -106.05 126.68 52.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.779 . . . . 0.0 109.36 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.496 ' HB2' ' C7 ' ' A' ' 130' ' ' NCZ . 0.6 OUTLIER -105.03 170.66 7.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.093 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.609 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -64.43 161.23 17.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.21 -22.37 6.6 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.614 1.196 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.27 -27.21 26.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 99' ' ' ASP . . . 100.17 16.57 27.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -95.57 157.65 15.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.55 114.59 3.59 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.448 1.093 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.502 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.4 Cg_endo -74.92 52.85 3.13 Favored 'Trans proline' 0 C--N 1.358 1.032 0 O-C-N 124.501 1.79 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.83 ' O ' H181 ' A' ' 130' ' ' NCZ . 3.8 mm-40 -90.53 102.11 14.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.09 144.13 4.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.39 1.056 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 4.1 p -106.09 129.9 58.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.531 0.783 . . . . 0.0 109.192 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.541 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -62.84 91.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.779 HG21 HG21 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -106.47 138.13 33.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.554 1.158 . . . . 0.0 109.387 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 3.9 p 157.82 -48.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.076 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.564 ' CZ ' ' HA2' ' A' ' 12' ' ' GLY . 0.6 OUTLIER -172.97 168.19 4.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.967 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.83 H181 ' O ' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 1.107 ' HB3' HG21 ' A' ' 6' ' ' THR . . . 62.88 149.33 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.221 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.663 ' C ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo -75.01 162.03 37.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.592 1.838 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.663 HG23 ' C ' ' A' ' 3' ' ' PRO . 0.8 OUTLIER 62.48 -153.9 0.35 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.57 1.169 . . . . 0.0 110.432 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.657 ' HB2' ' CD2' ' A' ' 97' ' ' LEU . . . -73.13 125.67 28.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.391 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 1.107 HG21 ' HB3' ' A' ' 2' ' ' ALA . 1.2 p -139.19 148.7 43.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.371 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.918 HG21 HG21 ' A' ' 110' ' ' ILE . 84.7 t -86.04 126.06 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.724 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -30.4 -68.5 0.12 Allowed Pre-proline 0 C--N 1.323 -0.568 0 O-C-N 124.615 1.197 . . . . 0.0 110.432 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.892 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.98 -158.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 111.081 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.533 ' HA ' HD11 ' A' ' 110' ' ' ILE . 15.0 p -148.73 -75.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.8 t -108.59 149.12 29.33 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.477 1.111 . . . . 0.0 109.954 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.432 ' C ' HD23 ' A' ' 13' ' ' LEU . . . 97.59 28.08 8.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.572 1.17 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.713 ' N ' HD23 ' A' ' 13' ' ' LEU . 1.2 mt -86.08 164.55 17.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 109.213 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.586 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.7 OUTLIER -127.16 159.91 32.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.888 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.87 64.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.07 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 138.92 39.25 0.1 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.485 1.116 . . . . 0.0 111.115 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.776 ' O ' HG12 ' A' ' 69' ' ' VAL . 1.1 m -92.01 116.47 28.95 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.549 0.793 . . . . 0.0 110.27 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.426 HG23 ' H ' ' A' ' 18' ' ' VAL . 1.6 t -74.23 128.91 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.226 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.917 HG21 HG13 ' A' ' 7' ' ' VAL . 15.3 m -145.16 165.46 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -98.23 124.64 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.381 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.4 HG12 ' HB1' ' A' ' 5' ' ' ALA . 3.3 t -99.19 94.63 3.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.576 1.172 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.26 120.17 30.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.405 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.434 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -111.27 96.22 0.87 Allowed Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.428 1.08 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.01 103.34 15.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.394 0.702 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.24 14.59 25.74 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.531 1.144 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.711 ' HG ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -84.18 -143.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.726 . . . . 0.0 109.293 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.864 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 35.0 mm-40 -49.49 90.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -57.97 83.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 75.71 6.13 80.72 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.48 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.11 -176.52 4.63 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.533 0.784 . . . . 0.0 110.35 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.695 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -137.23 112.79 9.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 2.7 m-30 -117.46 170.97 8.31 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.453 1.096 . . . . 0.0 111.079 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -88.79 123.17 32.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 1.074 . . . . 0.0 109.28 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.698 HG23 HG11 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -85.35 139.33 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.582 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 163.75 144.14 3.94 Favored Glycine 0 CA--C 1.528 0.856 0 O-C-N 124.421 1.076 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.715 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 4.8 pm0 -92.45 119.12 31.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.363 0.684 . . . . 0.0 110.328 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.539 ' HB3' ' C1 ' ' A' ' 130' ' ' NCZ . 1.4 t -109.78 154.21 23.27 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.353 1.033 . . . . 0.0 108.394 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -167.44 153.32 7.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.358 1.037 . . . . 0.0 109.218 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.415 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 29.7 p-90 -69.76 106.72 3.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 107.96 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.893 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -90.1 -46.01 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.407 1.067 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.609 ' OD1' ' CH2' ' A' ' 83' ' ' TRP . 1.2 t0 -86.51 -166.37 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -61.97 79.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.423 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 67.65 24.51 74.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 26.0 t -100.47 106.25 18.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.361 0.683 . . . . 0.0 109.245 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.896 HD22 H173 ' A' ' 130' ' ' NCZ . 4.3 mt -57.43 95.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.893 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -102.42 132.24 48.57 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.608 1.193 . . . . 0.0 109.37 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.598 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 33.6 m -96.75 155.39 16.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 108.322 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.67 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -88.87 168.41 15.74 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.589 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.96 -8.66 20.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.582 1.833 . . . . 0.0 111.022 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.52 10.68 33.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.582 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -89.75 5.01 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.231 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 4.2 m-85 -107.05 88.97 2.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.082 . . . . 0.0 111.038 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.689 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -150.68 85.73 1.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.919 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 53' ' ' SER . 40.0 t -35.96 149.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.698 HG11 HG23 ' A' ' 34' ' ' VAL . 10.6 p -158.02 155.62 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.224 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.695 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -138.97 141.92 38.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 0.0 110.393 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 1.021 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -107.39 144.29 34.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -59.8 160.07 8.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.77 -32.22 0.21 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -88.34 35.87 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.368 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.78 42.61 4.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.425 1.078 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -102.34 95.8 6.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.758 . . . . 0.0 110.057 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 1.021 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.4 80.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 p -93.97 77.82 4.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.888 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.468 ' OG1' HG23 ' A' ' 55' ' ' VAL . 2.5 m -109.56 139.18 44.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.444 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.431 ' O ' HD12 ' A' ' 67' ' ' LEU . 52.5 p -97.73 135.01 40.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 110.075 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -145.64 171.21 15.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.364 1.04 . . . . 0.0 109.342 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.467 ' CG2' ' HA2' ' A' ' 16' ' ' GLY . 2.0 m -105.92 130.47 53.86 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.564 1.165 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.776 HG12 ' O ' ' A' ' 17' ' ' THR . 7.3 p -86.0 92.07 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.694 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 3.4 mtt180 -87.69 72.24 9.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.067 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 20.7 ttp180 -38.54 -36.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.193 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.554 ' C ' ' CG ' ' A' ' 73' ' ' PHE . 4.0 m -98.75 148.93 23.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 110.032 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.694 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 161.18 -172.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.953 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 1.2 tt0 -100.79 97.34 7.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.241 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.467 ' HA3' ' HG1' ' A' ' 85' ' ' THR . . . -66.14 162.17 43.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.585 ' CZ ' ' HG3' ' A' ' 82' ' ' ARG . 47.0 m-85 -142.57 124.02 14.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 0.796 . . . . 0.0 110.988 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 83' ' ' TRP . 18.1 mt -53.96 159.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.237 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 78' ' ' PHE . 2.1 p90 -73.24 -32.2 64.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.06 -51.55 65.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.87 -24.21 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.406 1.066 . . . . 0.0 110.965 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.0 m -74.56 149.11 40.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.585 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 5.4 ttm180 -90.53 142.61 27.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.697 ' CD1' HG13 ' A' ' 40' ' ' VAL . 76.3 t-105 -102.4 -89.22 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.119 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 74' ' ' GLU . . . 164.09 -67.59 0.22 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.844 HG23 ' CG2' ' A' ' 40' ' ' VAL . 2.0 m 78.7 -62.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.602 HG23 ' C ' ' A' ' 85' ' ' THR . 2.4 t 75.43 -77.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -128.88 110.17 11.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.18 . . . . 0.0 109.39 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 49.7 t -75.01 57.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 0.0 108.247 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.8 t -100.02 -25.4 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.384 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.0 m -88.81 -51.72 5.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.499 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -89.36 147.02 24.3 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.401 1.063 . . . . 0.0 109.227 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.825 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -86.01 122.79 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.354 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.603 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -91.09 119.34 31.15 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.498 1.123 . . . . 0.0 108.33 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.608 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 23.3 mt-30 -91.84 115.22 27.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.571 ' CG2' HG22 ' A' ' 110' ' ' ILE . 2.3 t -88.28 123.01 40.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -170.4 170.14 42.79 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.64 1.213 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.711 HD21 ' HG ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -106.33 118.22 36.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.479 ' HB3' ' C7 ' ' A' ' 130' ' ' NCZ . 47.1 p -90.44 159.88 16.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.905 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.577 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -57.32 163.71 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.15 -16.82 62.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.36 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.26 -23.04 54.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.1 39.1 3.61 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.625 1.203 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.539 ' ND2' ' OD1' ' A' ' 99' ' ' ASP . 11.0 p-10 -146.23 157.98 43.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.407 0.71 . . . . 0.0 109.394 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.51 122.26 0.94 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -5.54 16.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.612 1.849 . . . . 0.0 111.057 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.744 ' O ' H181 ' A' ' 130' ' ' NCZ . 0.1 OUTLIER -67.74 130.68 43.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.02 130.64 1.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.084 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 p -106.61 125.86 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 O-C-N 124.472 0.748 . . . . 0.0 109.382 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.825 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -65.92 91.16 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.918 HG21 HG21 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -109.8 141.98 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.39 1.056 . . . . 0.0 109.334 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.2 m 152.45 -43.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.941 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -164.58 174.71 10.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.637 1.21 . . . . 0.0 111.055 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.3 t30 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.183 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.896 H173 HD22 ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' C ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.462 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -133.5 62.24 58.46 Favored Pre-proline 0 C--N 1.323 -0.57 0 O-C-N 124.626 1.204 . . . . 0.0 109.318 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.2 Cg_endo -74.94 47.35 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.575 1.829 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 19.3 p 49.35 -125.96 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.818 ' HB2' HD21 ' A' ' 26' ' ' LEU . . . -81.93 119.35 23.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.608 1.193 . . . . 0.0 109.273 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -148.01 147.66 29.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.353 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.791 HG22 ' HD2' ' A' ' 9' ' ' PRO . 4.7 p -97.5 147.63 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.495 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -37.13 -56.19 1.56 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.176 . . . . 0.0 110.436 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.791 ' HD2' HG22 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.15 -177.92 3.83 Favored 'Trans proline' 0 C--N 1.362 1.259 0 O-C-N 124.406 1.74 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.46 ' HA ' HG12 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -150.23 -44.86 0.13 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.531 1.144 . . . . 0.0 109.914 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.491 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 26.7 m -134.04 -174.51 3.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 0.0 110.068 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 37.84 44.99 1.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.561 1.163 . . . . 0.0 110.988 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.92 HD12 ' N ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -73.78 167.39 21.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.625 0.838 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.92 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -116.59 144.4 44.43 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.16 . . . . 0.0 110.012 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -59.49 74.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 120.98 39.73 0.58 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.606 1.191 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.635 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.3 m -82.48 108.07 15.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.424 0.72 . . . . 0.0 110.393 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.5 t -78.85 127.15 39.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.692 HG11 ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -153.25 179.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -107.72 135.5 49.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.587 HG22 HG23 ' A' ' 7' ' ' VAL . 61.8 t -106.64 105.28 18.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.344 1.028 . . . . 0.0 109.313 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.79 132.96 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.352 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -109.29 86.58 0.45 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.592 1.183 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.5 100.05 11.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.3 32.12 8.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.592 1.182 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.818 HD21 ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -81.05 -149.11 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 0.716 . . . . 0.0 109.344 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.893 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -84.98 82.39 8.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.359 1.037 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.583 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . -59.2 118.08 5.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.623 1.202 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.99 -30.51 7.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 111.068 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.501 HG21 ' NE2' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.07 -178.63 5.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.61 0.83 . . . . 0.0 110.411 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.915 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -160.45 140.97 11.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.861 ' O ' HG12 ' A' ' 55' ' ' VAL . 20.7 m-85 -137.46 -179.84 5.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 111.058 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.455 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.7 m-20 -90.69 122.26 33.3 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.802 HG23 ' HB3' ' A' ' 97' ' ' LEU . 1.2 t -89.41 141.51 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.55 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 171.78 157.88 14.64 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.395 1.059 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.551 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -91.5 107.62 19.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 110.318 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.578 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 1.3 t -107.18 150.16 26.92 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.506 1.129 . . . . 0.0 108.355 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.649 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -174.9 161.2 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.515 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 64.0 p-90 -66.27 109.54 2.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.519 1.137 . . . . 0.0 107.964 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.951 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -103.66 -47.66 10.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.617 ' CG ' HD21 ' A' ' 77' ' ' LEU . 4.5 t70 -91.99 170.44 9.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.079 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 44' ' ' VAL . 12.6 m -31.89 95.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.349 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 40.29 26.84 0.13 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 110.951 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.08 HG11 HD23 ' A' ' 77' ' ' LEU . 3.0 t -103.15 127.52 56.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.428 0.722 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.466 HD22 H173 ' A' ' 130' ' ' NCZ . 0.3 OUTLIER -68.67 107.26 2.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.951 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -117.29 136.04 53.39 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.595 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 62.7 m -96.06 160.36 14.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 108.457 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.456 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 4.7 m-20 -85.11 164.7 40.3 Favored Pre-proline 0 C--N 1.323 -0.565 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.663 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.97 -14.51 21.19 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.5 13.0 28.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.242 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.575 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.86 9.99 22.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.388 179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.663 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 2.3 m-85 -105.2 89.09 3.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.376 1.048 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.522 ' OG ' ' CD2' ' A' ' 67' ' ' LEU . 7.1 t -149.71 89.83 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.973 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -35.21 151.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.981 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.872 HG23 ' HB ' ' A' ' 65' ' ' THR . 11.0 p -150.95 148.29 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.915 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -140.4 138.81 35.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.378 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.893 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -97.69 125.22 42.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.093 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.682 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -62.39 158.33 17.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.45 -33.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.167 . . . . 0.0 109.258 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 58' ' ' ASP . 20.2 t-20 -89.24 35.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.682 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.05 42.7 2.37 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.435 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 14.5 m -109.15 103.69 12.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 110.035 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.75 86.73 2.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.242 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.6 p -96.29 81.63 3.33 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.566 1.166 . . . . 0.0 109.95 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.872 ' HB ' HG23 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -109.23 127.25 54.1 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 52.9 p -100.39 140.74 34.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 110.052 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.522 ' CD2' ' OG ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -153.51 -174.72 5.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 109.213 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.504 HG23 ' CG ' ' A' ' 70' ' ' ARG . 14.4 t -103.85 129.71 51.35 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 124.448 1.093 . . . . 0.0 110.441 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 17' ' ' THR . 24.5 t -89.72 85.83 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.416 1.073 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.504 ' CG ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -102.5 103.58 13.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.373 1.046 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.439 ' HB2' HD11 ' A' ' 13' ' ' LEU . 15.3 ttp180 -76.3 -31.89 58.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.234 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 27.8 m -94.19 129.35 40.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.481 ' HB3' ' CG ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 163.3 177.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.491 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 3.0 tp10 -80.77 120.86 25.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.11 159.89 26.77 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -133.14 127.96 35.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.96 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.08 HD23 HG11 ' A' ' 44' ' ' VAL . 4.0 mp -67.86 151.11 47.69 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.388 1.055 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -79.89 -17.89 52.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.43 -48.09 82.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.235 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.15 -26.18 0.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.398 1.061 . . . . 0.0 111.054 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.45 HG23 HD13 ' A' ' 77' ' ' LEU . 6.5 t -90.11 168.97 11.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 0.78 . . . . 0.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -112.56 148.7 33.97 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.786 ' HB2' HD11 ' A' ' 77' ' ' LEU . 37.9 t-105 -103.48 -89.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 142.4 -76.17 0.31 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.366 1.041 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.939 ' O ' HG22 ' A' ' 86' ' ' VAL . 1.4 m 66.73 -61.47 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 0.729 . . . . 0.0 110.41 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.939 HG22 ' O ' ' A' ' 85' ' ' THR . 0.8 OUTLIER 80.45 -22.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.722 ' H ' HG22 ' A' ' 85' ' ' THR . 2.1 t0 -141.24 103.67 4.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 42.0 t -91.2 43.14 1.13 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.68 1.237 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t -89.64 -14.1 35.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.379 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.7 m -88.65 -51.7 5.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.461 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.2 116.9 29.19 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -53.49 110.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.649 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -83.49 123.83 30.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.423 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.551 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.9 pt20 -101.72 117.55 35.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.507 HG22 ' HB3' ' A' ' 36' ' ' GLN . 2.8 t -86.04 109.2 18.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.417 ' C ' H183 ' A' ' 130' ' ' NCZ . . . -156.54 177.71 33.38 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.802 ' HB3' HG23 ' A' ' 34' ' ' VAL . 1.5 pt? -106.23 117.67 34.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.425 0.721 . . . . 0.0 109.33 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.6 t -83.24 129.54 35.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.446 ' HA ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -64.53 161.85 16.57 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.26 10.94 15.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.66 -17.0 24.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.149 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.455 ' C ' ' ND2' ' A' ' 103' ' ' ASN . . . 102.22 42.5 2.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.087 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.455 ' ND2' ' C ' ' A' ' 102' ' ' GLY . 0.2 OUTLIER -140.84 152.4 45.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 0.743 . . . . 0.0 109.195 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.444 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -135.35 62.15 0.62 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.3 Cg_endo -75.11 -32.49 5.21 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.98 141.17 30.53 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.644 1.215 . . . . 0.0 110.336 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 95' ' ' VAL . . . 144.17 126.78 1.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 110' ' ' ILE . 2.1 p -105.37 123.35 59.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.509 0.77 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -59.89 87.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.661 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.1 OUTLIER -92.52 138.65 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 8.0 p 144.52 -66.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 110.054 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.6 ' C ' ' O ' ' A' ' 111' ' ' SER . 7.1 m-85 18.34 65.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.3 p30 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.576 1.173 . . . . 0.0 109.302 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.595 ' C9 ' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.652 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . -112.65 169.98 5.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.652 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 18.7 Cg_endo -74.77 163.52 35.52 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 0.0 111.06 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.424 ' O ' ' HA2' ' A' ' 23' ' ' GLY . 3.5 p 36.37 -149.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.451 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.853 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -83.31 122.21 28.14 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.551 1.157 . . . . 0.0 109.216 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -143.57 143.45 31.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.565 HG22 ' CG2' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -74.19 130.6 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.618 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.71 -63.07 0.32 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.339 1.024 . . . . 0.0 110.385 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.913 ' CG ' HG11 ' A' ' 19' ' ' VAL . 17.8 Cg_endo -75.08 -160.75 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.549 1.815 . . . . 0.0 110.978 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.535 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 15.5 p -151.51 -70.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.891 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.404 ' HB2' ' C ' ' A' ' 112' ' ' PHE . 1.0 OUTLIER -111.04 158.1 19.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.53 26.2 30.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.594 1.184 . . . . 0.0 111.012 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.026 HD12 HG23 ' A' ' 110' ' ' ILE . 83.8 mt -90.64 150.44 21.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.556 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.0 t -123.3 156.83 34.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.894 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.428 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 5.5 p-10 -58.16 79.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.573 ' HA2' HG22 ' A' ' 68' ' ' THR . . . 134.78 33.3 0.29 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.557 1.16 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.789 HG21 HD22 ' A' ' 13' ' ' LEU . 22.4 m -89.49 105.28 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 110.483 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.621 HG22 ' OG1' ' A' ' 68' ' ' THR . 21.8 t -73.79 116.81 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.913 HG11 ' CG ' ' A' ' 9' ' ' PRO . 1.7 m -141.91 171.84 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.373 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -115.75 127.07 54.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.39 1.056 . . . . 0.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.613 ' HB ' HG23 ' A' ' 65' ' ' THR . 2.1 t -94.09 110.33 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.55 126.25 35.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.666 1.229 . . . . 0.0 109.211 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.909 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -104.67 127.54 9.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.402 1.064 . . . . 0.0 111.01 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.84 102.63 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.402 ' HA2' ' HA3' ' A' ' 61' ' ' GLY . . . 76.88 29.22 57.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.639 1.212 . . . . 0.0 110.988 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.853 HD12 ' HB2' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -77.64 -143.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.582 0.813 . . . . 0.0 109.342 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.704 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 6.8 mm-40 -37.81 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 110.185 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.705 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . 28.7 87.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.209 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.17 -39.05 3.03 Favored Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.404 1.065 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.508 ' HB ' ' CD ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -90.89 -160.68 0.74 Allowed 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.312 0.654 . . . . 0.0 110.346 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.918 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -158.21 150.38 21.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.704 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.4 m-30 -144.56 170.14 16.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -90.5 118.57 30.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.439 1.087 . . . . 0.0 109.222 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.072 HG22 HD22 ' A' ' 97' ' ' LEU . 53.1 t -76.41 141.16 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.566 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 170.53 156.91 11.79 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.458 1.099 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -92.56 102.69 15.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.576 0.809 . . . . 0.0 110.225 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.66 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 3.7 t -106.18 149.36 26.89 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.135 . . . . 0.0 108.321 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -175.43 166.56 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.602 1.189 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.503 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 45.8 p-90 -69.13 106.55 2.86 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 108.102 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.887 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -90.08 -46.3 14.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.584 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -90.65 -163.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.2 m -63.89 81.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 110.315 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.75 17.7 69.5 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.393 1.058 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.483 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 58.2 t -93.61 111.1 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.457 0.739 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.486 HD13 H173 ' A' ' 130' ' ' NCZ . 2.7 mt -62.7 101.17 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.887 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -114.35 141.37 47.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.59 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 37.3 m -101.52 155.46 18.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 108.334 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.454 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 5.5 m-20 -80.63 165.04 48.41 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.551 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.97 -16.19 20.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.567 1.825 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.53 13.75 29.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.611 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.59 12.89 13.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 4.1 m-85 -105.48 91.35 3.73 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.508 1.13 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.414 ' OG ' ' CD2' ' A' ' 67' ' ' LEU . 37.3 t -144.32 81.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.548 ' O ' HG23 ' A' ' 55' ' ' VAL . 27.0 t -40.74 142.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.649 1.218 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.809 ' HB ' HG23 ' A' ' 34' ' ' VAL . 1.1 t -159.69 161.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.918 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -134.16 151.49 51.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.618 1.199 . . . . 0.0 110.347 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' A' ' 27' ' ' GLN . . . -105.4 136.76 44.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.597 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -72.15 152.71 42.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.28 -32.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.205 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 58' ' ' ASP . 22.7 t-20 -88.13 38.0 0.83 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.383 1.052 . . . . 0.0 109.221 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.705 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . . . 39.46 33.43 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.454 1.096 . . . . 0.0 111.033 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -90.56 99.7 12.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 110.021 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.909 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . . . -105.01 78.76 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.61 1.194 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.9 p -89.13 84.1 6.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.027 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.673 ' OG1' HG21 ' A' ' 55' ' ' VAL . 6.1 t -105.67 159.68 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 p -134.04 127.42 32.22 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.594 1.183 . . . . 0.0 110.075 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.565 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -155.1 173.02 17.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.242 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.621 ' OG1' HG22 ' A' ' 18' ' ' VAL . 93.0 m -106.51 144.39 33.25 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.515 1.134 . . . . 0.0 110.33 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.542 HG21 HD13 ' A' ' 13' ' ' LEU . 10.6 t -92.18 81.88 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.546 1.154 . . . . 0.0 109.393 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.448 ' HD3' ' CA ' ' A' ' 16' ' ' GLY . 8.4 mmt180 -90.5 65.35 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 111' ' ' SER . 4.5 ttm180 -40.27 -33.16 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -89.1 129.48 35.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.01 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.527 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 162.27 173.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.623 1.202 . . . . 0.0 110.951 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 5.7 tp10 -82.4 112.38 19.3 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.494 1.121 . . . . 0.0 110.231 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.39 162.47 43.85 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.337 1.023 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 1.5 m-85 -138.74 133.04 31.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.023 HD23 HG23 ' A' ' 81' ' ' THR . 0.3 OUTLIER -71.37 157.02 38.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 109.181 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -87.06 -17.81 32.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -47.23 86.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.23 -26.08 0.31 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.442 1.089 . . . . 0.0 110.972 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 1.023 HG23 HD23 ' A' ' 77' ' ' LEU . 1.8 t -89.78 169.63 11.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.385 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.588 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 11.0 ptt-85 -113.82 152.07 31.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.654 ' CD1' HG13 ' A' ' 40' ' ' VAL . 62.8 t-105 -104.57 -86.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 107.964 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.506 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 128.29 -83.64 0.33 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.873 HG22 ' H ' ' A' ' 87' ' ' ASP . 2.8 m 67.99 -60.83 0.4 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 0.763 . . . . 0.0 110.461 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.736 HG23 ' C ' ' A' ' 85' ' ' THR . 2.8 t 85.16 -18.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.218 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.873 ' H ' HG22 ' A' ' 85' ' ' THR . 6.3 t0 -139.21 100.98 4.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 36.7 t -91.73 44.85 1.19 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.8 t -90.63 -12.63 36.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.4 m -87.84 -53.51 4.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -93.49 111.85 23.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.387 1.055 . . . . 0.0 109.2 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.63 112.45 0.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 109.239 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.47 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -80.42 126.55 31.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 108.306 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.541 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 15.1 mt-30 -96.65 116.99 30.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.467 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 3.6 t -86.72 120.66 36.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.465 ' C ' HD23 ' A' ' 97' ' ' LEU . . . -176.97 178.32 48.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.555 1.159 . . . . 0.0 111.051 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.072 HD22 HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -105.75 130.15 53.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.255 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.563 ' HB3' ' C7 ' ' A' ' 130' ' ' NCZ . 97.2 p -102.26 167.82 9.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.592 1.182 . . . . 0.0 110.054 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.674 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -89.84 157.59 17.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.561 1.163 . . . . 0.0 109.354 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.81 4.99 50.19 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.5 -32.59 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.91 51.26 0.96 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.048 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 105' ' ' PRO . 15.9 m-20 -114.49 154.05 28.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -34.05 94.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.558 1.161 . . . . 0.0 111.083 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.662 ' HG2' ' C1 ' ' A' ' 130' ' ' NCZ . 18.3 Cg_endo -75.0 144.25 30.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.596 1.84 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.06 129.58 37.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.654 1.221 . . . . 0.0 110.37 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -157.45 143.84 9.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.381 1.051 . . . . 0.0 111.059 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.49 ' CG1' HD13 ' A' ' 110' ' ' ILE . 3.7 p -105.33 118.72 53.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.406 ' N ' ' HG2' ' A' ' 94' ' ' GLN . . . -61.07 86.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 1.026 HG23 HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -105.59 159.59 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.8 m 150.7 -50.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.036 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.404 ' C ' ' HB2' ' A' ' 11' ' ' SER . 31.6 t80 -170.57 -179.77 3.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m120 . . . . . 0 C--N 1.327 -0.399 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.662 ' C1 ' ' HG2' ' A' ' 105' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.559 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.884 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . 171.88 66.31 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.397 1.06 . . . . 0.0 109.287 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.41 ' O ' HG23 ' A' ' 6' ' ' THR . 18.0 Cg_endo -75.0 107.73 2.55 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 1.5 p 46.35 -146.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.397 1.061 . . . . 0.0 110.483 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.659 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -78.41 122.74 26.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -141.7 143.08 33.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.414 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.77 HG12 ' HD2' ' A' ' 9' ' ' PRO . 1.5 t -83.22 138.36 19.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.709 1.256 . . . . 0.0 109.15 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.5 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -38.5 -51.42 3.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.474 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.77 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.03 -174.39 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.455 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 6.9 m -152.56 -40.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.6 p -146.06 171.96 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.601 1.188 . . . . 0.0 109.954 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 13' ' ' LEU . . . 60.11 27.35 64.82 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.53 1.144 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.623 HD23 ' HB3' ' A' ' 111' ' ' SER . 0.2 OUTLIER -45.34 172.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 0.735 . . . . 0.0 109.286 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.551 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -132.95 149.73 52.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.07 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' SER . 6.6 p-10 -38.31 93.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.408 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 65.22 64.27 3.61 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.458 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 6.7 m -77.27 108.69 10.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.389 0.7 . . . . 0.0 110.507 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -75.62 119.83 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.407 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.694 HG11 ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -145.09 -178.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.6 1.187 . . . . 0.0 109.17 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -107.63 138.19 44.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.332 1.02 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 6' ' ' THR . 2.4 t -112.22 100.14 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.356 1.035 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.28 132.27 34.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -112.18 109.19 2.38 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.472 1.107 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.884 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -100.17 108.9 21.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.37 36.86 54.69 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.832 HD21 HD21 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -83.35 -124.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 0.775 . . . . 0.0 109.361 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.948 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 29.1 mm-40 -40.87 -23.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.58 1.175 . . . . 0.0 110.379 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 67.14 9.38 6.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.353 1.033 . . . . 0.0 109.246 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 136.86 -11.25 3.94 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.493 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -80.3 -168.13 1.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 0.751 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.571 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -144.15 144.25 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.069 . . . . 0.0 109.402 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.852 ' HB2' HD12 ' A' ' 97' ' ' LEU . 2.0 m-30 -150.36 -167.03 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.511 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -113.78 127.86 56.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.933 HG23 HG11 ' A' ' 55' ' ' VAL . 1.1 t -89.53 150.87 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.103 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.636 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 168.78 152.12 7.55 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.681 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.3 104.78 16.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 0.708 . . . . 0.0 110.246 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.608 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 1.8 t -107.42 152.29 24.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.36 1.037 . . . . 0.0 108.264 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -178.09 161.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.418 ' CZ2' ' HA ' ' A' ' 91' ' ' ALA . 29.4 p-90 -62.44 116.19 4.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 107.944 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.03 HG22 ' OG1' ' A' ' 85' ' ' THR . 0.3 OUTLIER -102.61 -40.93 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.658 1.224 . . . . 0.0 109.228 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.5 ' HB2' HD22 ' A' ' 77' ' ' LEU . 1.8 t70 -83.65 -154.18 0.15 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.684 ' O ' HG23 ' A' ' 42' ' ' THR . 11.5 t -85.35 54.11 2.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.47 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.97 3.78 33.91 Favored Glycine 0 CA--C 1.532 1.156 0 O-C-N 124.466 1.104 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.435 HG23 ' HB3' ' A' ' 41' ' ' ASP . 8.6 t -91.53 114.8 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.804 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.483 ' CD2' H173 ' A' ' 130' ' ' NCZ . 0.2 OUTLIER -62.36 108.54 1.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.975 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -118.98 140.6 49.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.469 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 66.2 m -99.45 158.65 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 108.256 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.552 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -88.45 170.93 10.18 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.379 1.05 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.01 -12.89 21.5 Favored 'Trans proline' 0 C--N 1.358 1.059 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.21 16.69 24.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.382 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.636 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.6 t70 -88.23 4.87 44.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -108.23 93.38 4.5 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.474 ' O ' ' C ' ' A' ' 54' ' ' SER . 8.6 t -150.38 86.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.051 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 53' ' ' SER . 88.5 p -33.04 148.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 110.065 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.933 HG11 HG23 ' A' ' 34' ' ' VAL . 9.3 p -153.47 159.36 3.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.676 1.235 . . . . 0.0 109.339 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.531 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 1.3 m -152.41 138.05 17.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.396 1.06 . . . . 0.0 110.481 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.948 ' HB3' ' HB2' ' A' ' 27' ' ' GLN . . . -105.22 130.23 53.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -59.27 159.24 7.97 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.335 1.022 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.81 -33.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.209 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' ASP . 22.7 t30 -88.18 36.44 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 0.0 109.343 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.644 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.18 38.05 1.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.411 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 16.4 m -98.82 94.37 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.108 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.925 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.56 89.24 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 109.337 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 m -97.33 80.39 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.846 HG21 HG21 ' A' ' 34' ' ' VAL . 3.9 t -108.08 132.36 53.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.1 p -95.88 142.12 28.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.909 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.821 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -152.96 168.08 27.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.631 1.207 . . . . 0.0 109.225 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.821 ' H ' HD13 ' A' ' 67' ' ' LEU . 14.9 t -105.02 134.87 47.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 110.419 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.515 HG12 HD22 ' A' ' 13' ' ' LEU . 21.7 t -87.49 88.1 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.633 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -87.23 87.5 7.45 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.477 1.111 . . . . 0.0 110.363 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.511 ' CZ ' HD11 ' A' ' 13' ' ' LEU . 4.3 ttm-85 -53.7 -34.05 57.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.302 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.618 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 86.5 p -104.79 128.48 52.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.375 1.047 . . . . 0.0 110.037 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.633 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -177.14 176.08 1.43 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.583 1.177 . . . . 0.0 111.065 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.43 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 2.1 tp10 -94.15 109.71 21.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 110.347 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.7 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -72.52 153.62 49.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.4 1.063 . . . . 0.0 110.977 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.53 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 2.6 m-85 -128.72 113.52 15.46 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 0.789 . . . . 0.0 111.01 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.799 HD21 ' HB2' ' A' ' 83' ' ' TRP . 23.6 mt -53.21 155.36 2.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -74.3 -31.87 62.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.48 -50.69 64.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.49 -22.86 0.56 Allowed Glycine 0 CA--C 1.532 1.128 0 O-C-N 124.583 1.177 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 43.9 m -80.7 153.0 28.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.611 0.83 . . . . 0.0 110.36 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.53 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -99.05 135.59 40.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.369 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.799 ' HB2' HD21 ' A' ' 77' ' ' LEU . 34.0 t-105 -97.53 -89.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.017 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.504 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 146.12 -75.39 0.29 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 1.03 ' OG1' HG22 ' A' ' 40' ' ' VAL . 15.7 m 68.7 -55.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.589 0.817 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.618 ' O ' ' HA ' ' A' ' 72' ' ' SER . 61.6 t 74.38 -104.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.371 1.044 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.449 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -62.49 110.54 1.71 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.378 1.048 . . . . 0.0 109.309 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 38.3 t -87.84 48.22 1.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 0.0 108.322 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.1 t -93.08 -17.93 23.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.5 m -89.1 -56.92 3.08 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.527 1.142 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.436 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -91.37 147.36 23.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.86 119.69 25.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.26 120.9 26.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 108.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 10.6 mt-30 -96.64 114.12 25.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 110.287 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.681 HG22 ' HG2' ' A' ' 36' ' ' GLN . 12.7 t -88.11 113.42 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.535 ' C ' H183 ' A' ' 130' ' ' NCZ . . . -165.99 179.14 40.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.353 1.033 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.852 HD12 ' HB2' ' A' ' 32' ' ' TYR . 1.4 pt? -107.4 144.09 34.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 0.721 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 p -89.88 155.73 18.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -95.81 157.77 15.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.55 -0.82 31.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.58 -8.98 27.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 62.68 51.09 58.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.339 1.024 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 105' ' ' PRO . 69.5 m-20 -125.05 150.54 46.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -35.43 96.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.39 1.056 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.3 Cg_endo -75.09 176.62 9.68 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.539 1.81 . . . . 0.0 110.961 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.67 106.57 18.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -124.47 132.19 8.15 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.556 1.16 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 110' ' ' ILE . 6.7 p -101.55 119.2 49.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 109.3 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.0 83.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.378 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.542 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -101.47 125.34 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.623 ' HB3' HD23 ' A' ' 13' ' ' LEU . 2.3 p 156.65 -53.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.947 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -165.13 97.56 0.72 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.6 1.188 . . . . 0.0 109.277 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.608 ' C6 ' ' CB ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.718 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -145.48 47.31 0.65 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.718 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -75.08 53.7 3.45 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.611 1.848 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 3' ' ' PRO . 30.0 p 47.74 -121.11 1.27 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 110.34 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 1.026 ' HB2' HD22 ' A' ' 26' ' ' LEU . . . -88.59 122.76 32.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.469 HG21 ' HG2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -148.54 151.84 35.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.512 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.048 HG12 ' HD2' ' A' ' 9' ' ' PRO . 5.4 t -83.93 133.52 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.582 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.68 -60.78 0.43 Allowed Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.577 1.173 . . . . 0.0 110.346 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.048 ' HD2' HG12 ' A' ' 7' ' ' VAL . 17.9 Cg_endo -75.04 -160.35 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.929 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.2 m -152.64 -62.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.056 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.523 ' CB ' ' HA ' ' A' ' 112' ' ' PHE . 7.6 t -125.26 162.08 25.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.61 1.194 . . . . 0.0 109.944 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.12 20.46 62.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.575 1.172 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.799 HD21 ' HG2' ' A' ' 9' ' ' PRO . 1.1 mp -73.49 160.44 31.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.228 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.9 t -123.83 152.01 42.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.992 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.6 80.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 124.77 37.35 0.55 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.097 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.0 m -88.04 104.87 17.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 0.735 . . . . 0.0 110.48 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.55 HG22 ' OG1' ' A' ' 68' ' ' THR . 11.9 t -75.1 119.29 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.951 HG11 ' HG3' ' A' ' 9' ' ' PRO . 2.4 m -141.47 176.95 3.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 4.3 ttpm? -110.09 129.17 55.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 0.0 109.345 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' THR . 2.7 t -101.95 108.74 24.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.424 1.078 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -90.12 132.92 35.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.237 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -108.28 87.17 0.48 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.513 1.133 . . . . 0.0 111.094 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.41 89.38 7.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 109.419 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.92 30.03 9.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.026 HD22 ' HB2' ' A' ' 5' ' ' ALA . 7.5 tp -78.48 -129.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.994 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.6 mp0 -71.39 98.01 1.72 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.0 91.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.62 1.2 . . . . 0.0 109.423 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 66.9 6.91 39.86 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.402 1.064 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.593 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -89.49 177.49 6.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 0.73 . . . . 0.0 110.294 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.841 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -146.86 116.91 7.28 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.498 1.123 . . . . 0.0 109.224 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.885 ' HB2' HD12 ' A' ' 97' ' ' LEU . 17.0 m-30 -123.22 -166.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.046 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 2.8 t0 -103.41 121.46 42.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.726 HG23 HG11 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -90.64 139.26 17.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.552 1.158 . . . . 0.0 109.412 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.545 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 174.0 153.42 9.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 0.0 111.103 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.763 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -92.54 111.16 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 0.0 110.278 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.688 ' SG ' HD11 ' A' ' 45' ' ' LEU . 1.8 t -108.79 153.26 23.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -177.3 159.09 1.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -64.35 115.71 5.35 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.499 1.125 . . . . 0.0 108.049 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.996 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -97.14 -42.6 11.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.238 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.595 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.9 OUTLIER -83.53 -153.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.35 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 42' ' ' THR . 10.2 t -80.85 52.68 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.366 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.11 0.26 35.64 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.58 1.175 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.61 HG11 HD23 ' A' ' 77' ' ' LEU . 18.9 t -81.83 112.43 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.631 0.842 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.688 HD11 ' SG ' ' A' ' 37' ' ' CYS . 2.2 tm? -60.0 107.9 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.249 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.996 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -119.74 138.15 53.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.085 . . . . 0.0 109.283 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.601 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 59.0 m -101.15 157.45 16.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 108.371 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.615 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 1.5 m120 -86.86 165.14 33.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.445 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -74.88 -9.64 21.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.73 12.23 31.2 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.559 ' OD1' ' C8 ' ' A' ' 130' ' ' NCZ . 0.0 OUTLIER -87.98 7.79 29.48 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.474 1.109 . . . . 0.0 109.377 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 11.5 m-85 -105.51 87.75 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.183 . . . . 0.0 111.0 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.54 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -148.58 86.37 1.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.367 1.042 . . . . 0.0 109.993 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' SER . 54.2 p -36.07 149.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.025 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.726 HG11 HG23 ' A' ' 34' ' ' VAL . 9.9 p -151.09 157.07 5.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 109.239 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.841 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -148.08 137.64 22.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 1.055 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.65 131.6 53.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -51.3 159.56 0.66 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.94 -29.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.43 ' N ' ' C ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -88.71 34.09 0.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.91 43.68 6.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.7 OUTLIER -107.11 96.08 6.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 0.714 . . . . 0.0 110.035 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 1.055 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.97 87.24 2.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.1 p -94.85 78.02 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.87 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.666 ' HB ' HG23 ' A' ' 55' ' ' VAL . 1.2 t -108.8 132.27 54.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 15.2 p -98.96 143.62 29.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.669 HD12 ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -149.4 173.81 13.14 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.55 ' OG1' HG22 ' A' ' 18' ' ' VAL . 17.5 m -105.59 130.25 53.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.608 1.192 . . . . 0.0 110.351 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 69' ' ' VAL . 38.7 t -87.74 87.34 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.173 . . . . 0.0 109.32 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.632 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 35.4 mtt-85 -95.48 75.39 3.3 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.613 ' NH1' HG22 ' A' ' 89' ' ' THR . 1.4 ttp85 -37.47 -30.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.285 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.518 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 41.9 m -94.87 116.24 28.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.632 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -160.17 161.06 33.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.448 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 2.3 tp10 -86.37 94.23 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.074 . . . . 0.0 110.298 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.877 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -52.45 150.74 8.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -134.99 106.51 6.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 0.728 . . . . 0.0 110.934 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 81' ' ' THR . 1.6 mp -49.49 145.7 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -70.84 -25.36 62.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.64 -29.75 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.621 1.201 . . . . 0.0 109.237 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.7 -10.86 6.34 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.545 1.153 . . . . 0.0 111.072 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.781 ' O ' HD12 ' A' ' 77' ' ' LEU . 16.7 m -89.82 145.78 24.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.337 0.669 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -94.73 135.67 35.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.595 ' CE3' ' OD2' ' A' ' 41' ' ' ASP . 72.2 t-105 -103.79 -90.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 107.98 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.473 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 145.17 -81.86 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.693 ' OG1' HG22 ' A' ' 40' ' ' VAL . 2.2 m 66.76 -56.98 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 110.507 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.59 HG12 ' N ' ' A' ' 87' ' ' ASP . 95.2 t 71.31 -105.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 124.421 1.075 . . . . 0.0 109.257 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.59 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -50.59 110.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 41.9 t -90.06 43.9 1.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 108.248 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.613 HG22 ' NH1' ' A' ' 71' ' ' ARG . 71.8 p -88.12 -21.89 24.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 m -88.53 -56.75 3.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.362 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.435 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.72 155.19 18.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.645 1.216 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.08 126.66 36.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.16 . . . . 0.0 109.199 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.76 121.52 33.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.59 1.181 . . . . 0.0 108.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 16.4 mt-30 -99.15 113.15 25.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.351 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.535 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.6 t -87.54 113.16 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.387 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -161.62 176.02 38.14 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.413 1.07 . . . . 0.0 111.062 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.934 HD11 ' OE1' ' A' ' 27' ' ' GLN . 1.5 pt? -105.71 134.74 48.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.395 0.703 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.519 ' HB3' ' C8 ' ' A' ' 130' ' ' NCZ . 60.7 p -86.72 136.64 32.94 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.581 1.176 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -70.18 160.8 31.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.385 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.42 0.3 46.73 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.393 1.058 . . . . 0.0 109.358 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -100.13 -11.5 20.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.236 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.35 52.82 11.65 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.43 1.081 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLY . 25.4 m120 -121.55 144.07 48.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.579 0.811 . . . . 0.0 109.32 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.72 97.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.495 ' HG2' ' C3 ' ' A' ' 130' ' ' NCZ . 18.5 Cg_endo -75.05 168.2 25.33 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.11 108.15 19.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.62 1.2 . . . . 0.0 110.227 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -116.63 139.48 15.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 95' ' ' VAL . 14.9 p -100.6 122.88 53.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 0.73 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.96 88.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.609 HG13 HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -98.79 139.06 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.584 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.3 OUTLIER 155.84 -55.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.389 1.055 . . . . 0.0 109.981 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.523 ' HA ' ' CB ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -169.75 156.42 6.37 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.466 ' N ' ' HB2' ' A' ' 11' ' ' SER . 1.4 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.605 ' C5 ' ' HB2' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -156.14 66.4 4.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.165 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.602 ' O ' HG23 ' A' ' 6' ' ' THR . 18.4 Cg_endo -74.95 104.81 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.457 ' O ' ' O ' ' A' ' 22' ' ' ALA . 71.3 p 44.36 -141.13 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 110.399 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.768 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -74.61 117.16 16.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -139.55 146.28 39.7 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.987 HG13 ' HB ' ' A' ' 19' ' ' VAL . 2.5 t -86.98 117.9 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.777 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -53.41 -70.31 0.29 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.913 ' HG2' HG12 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.98 55.56 3.97 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.642 ' HA ' HD11 ' A' ' 13' ' ' LEU . 91.5 p -88.05 24.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.46 126.62 53.65 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.414 1.071 . . . . 0.0 110.084 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.95 49.42 13.32 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.642 HD11 ' HA ' ' A' ' 10' ' ' SER . 3.2 mp -62.95 172.35 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -139.48 154.35 47.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.04 87.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 112.86 37.39 1.4 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.568 HG22 HG13 ' A' ' 19' ' ' VAL . 1.1 m -93.15 121.6 34.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.42 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -74.34 114.62 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.987 ' HB ' HG13 ' A' ' 7' ' ' VAL . 26.8 m -121.3 159.17 23.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.493 1.12 . . . . 0.0 109.235 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -106.63 113.9 27.68 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.55 HG12 ' HB1' ' A' ' 5' ' ' ALA . 3.1 t -88.98 93.89 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.46 117.36 28.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.449 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -98.53 97.94 1.95 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -95.09 98.47 10.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.769 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.29 32.82 10.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.876 HD11 HD21 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -95.23 -142.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 0.0 109.364 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.868 HE22 HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -49.59 90.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.08 75.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.606 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 85.27 3.28 87.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.505 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -93.67 -174.49 3.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 0.747 . . . . 0.0 110.453 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.741 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -146.97 145.04 29.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.622 1.201 . . . . 0.0 109.226 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.637 ' CD2' ' CG ' ' A' ' 27' ' ' GLN . 13.0 m-30 -142.98 -167.86 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 5.3 p-10 -103.39 114.33 28.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.435 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.847 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -88.32 133.83 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.619 1.199 . . . . 0.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.639 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . -178.17 153.41 12.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.356 1.035 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.662 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -92.33 104.0 16.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.232 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.572 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 1.8 t -106.65 151.16 25.44 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 177.05 163.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.7 m-90 -60.21 110.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 107.911 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.001 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -100.04 -39.24 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.429 1.081 . . . . 0.0 109.348 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.59 ' OD2' ' CZ3' ' A' ' 83' ' ' TRP . 3.7 t0 -84.63 -156.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.347 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.743 ' O ' HG23 ' A' ' 42' ' ' THR . 6.6 t -82.44 54.42 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.14 1.61 35.84 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.391 1.057 . . . . 0.0 111.054 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.483 HG23 ' HB3' ' A' ' 41' ' ' ASP . 4.9 t -89.38 122.15 40.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.602 0.825 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.517 HD21 H173 ' A' ' 130' ' ' NCZ . 0.4 OUTLIER -67.84 105.7 2.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.001 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -117.36 140.65 49.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.563 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 58.6 m -98.3 157.7 16.02 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 108.289 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.599 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -82.07 163.36 53.45 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.38 1.05 . . . . 0.0 109.347 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 73' ' ' PHE . 18.1 Cg_endo -74.98 -16.2 20.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.39 16.43 26.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.611 1.194 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.639 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -88.25 9.48 22.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.462 ' CD2' ' O ' ' A' ' 49' ' ' PRO . 1.8 m-85 -105.57 87.08 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.508 ' HB2' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -151.14 87.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 24.0 p -43.98 139.1 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.868 HG13 HE22 ' A' ' 27' ' ' GLN . 5.6 p -126.01 161.65 31.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.379 1.05 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.741 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -147.36 126.62 13.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.417 1.073 . . . . 0.0 110.518 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 1.013 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -104.07 132.21 50.55 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -50.29 158.66 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.611 1.195 . . . . 0.0 109.367 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.45 -28.87 0.14 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 58' ' ' ASP . 10.9 t30 -88.18 33.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.34 42.53 5.62 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.355 1.034 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.414 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 1.5 m -106.47 98.85 8.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.282 0.637 . . . . 0.0 109.969 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 1.013 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.12 79.2 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.628 1.205 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 m -94.29 71.92 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.683 HG21 HG23 ' A' ' 55' ' ' VAL . 70.2 p -111.39 136.99 49.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.3 p -99.15 142.07 31.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.758 HD12 ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -137.04 170.47 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.788 HG22 ' HG2' ' A' ' 70' ' ' ARG . 35.1 m -94.81 129.7 41.67 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.698 HG22 HD11 ' A' ' 110' ' ' ILE . 47.1 t -89.71 87.06 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.788 ' HG2' HG22 ' A' ' 68' ' ' THR . 0.6 OUTLIER -106.5 79.8 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.204 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.473 ' CD ' ' HB3' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -56.36 -29.6 61.61 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.426 1.079 . . . . 0.0 110.247 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 0.6 OUTLIER -85.6 111.91 20.49 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.351 1.032 . . . . 0.0 109.991 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 179.53 164.4 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 111.053 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.485 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 12.8 tt0 -81.42 118.74 22.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.371 1.045 . . . . 0.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.67 168.6 43.9 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.441 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -140.45 122.5 15.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.939 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.663 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -63.41 137.89 58.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -57.85 -26.84 62.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.89 -52.87 46.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 154.71 -21.7 0.61 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.466 1.104 . . . . 0.0 111.051 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.506 ' O ' HD22 ' A' ' 77' ' ' LEU . 91.4 m -87.34 148.07 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 0.815 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -90.88 141.98 28.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.621 1.2 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.612 ' HB2' HD11 ' A' ' 77' ' ' LEU . 58.1 t-105 -105.64 -90.98 0.4 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.501 1.126 . . . . 0.0 108.073 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.504 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 146.23 -80.66 0.22 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.542 ' O ' ' HB ' ' A' ' 86' ' ' VAL . 5.2 m 68.85 -56.41 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.602 0.825 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.542 ' HB ' ' O ' ' A' ' 85' ' ' THR . 60.5 t 76.82 -103.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 0.0 109.24 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.421 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -65.19 89.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.602 1.189 . . . . 0.0 109.371 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 13.7 t -73.59 60.54 0.68 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.474 1.109 . . . . 0.0 108.353 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.599 ' O ' ' CZ ' ' A' ' 112' ' ' PHE . 9.8 t -103.6 -12.15 17.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.4 m -89.98 -57.86 2.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 110.524 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.421 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.05 124.91 35.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.7 120.61 9.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.4 1.063 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.408 ' HB2' ' NH1' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -90.26 126.17 35.75 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.493 1.12 . . . . 0.0 108.37 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.555 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 6.4 mt-30 -98.06 110.63 23.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.036 HG21 HD12 ' A' ' 110' ' ' ILE . 19.1 t -86.54 105.3 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -153.85 175.4 32.16 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.546 1.154 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.876 HD21 HD11 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -108.77 135.71 49.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 0.739 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.44 133.9 36.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.941 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.63 160.97 31.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.94 11.36 16.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.43 -24.7 18.76 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.419 1.074 . . . . 0.0 109.247 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 110.31 38.68 1.61 Allowed Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.426 1.079 . . . . 0.0 111.063 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.65 152.63 48.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.468 0.746 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.427 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -134.89 62.77 0.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.2 Cg_endo -75.08 -26.35 10.87 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.456 1.766 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.92 142.54 35.04 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.79 109.76 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.944 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 95' ' ' VAL . 8.9 p -92.7 134.26 31.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.489 0.758 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.09 94.72 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.549 1.156 . . . . 0.0 109.375 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 1.036 HD12 HG21 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -71.02 118.54 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 10' ' ' SER . 7.9 t -73.4 57.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.832 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 89' ' ' THR . 19.9 p90 -34.89 153.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.603 1.189 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.34 1.025 . . . . 0.0 109.337 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.572 ' C6 ' ' CB ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.445 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -172.35 107.84 0.35 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.37 1.044 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.427 ' O ' HG23 ' A' ' 6' ' ' THR . 18.1 Cg_endo -74.99 129.66 12.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.574 ' HB ' HD23 ' A' ' 26' ' ' LEU . 1.5 p 40.45 -149.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.434 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.416 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -78.72 117.55 19.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.565 1.165 . . . . 0.0 109.347 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -139.53 146.25 39.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.372 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.924 ' HB ' HD13 ' A' ' 110' ' ' ILE . 0.9 OUTLIER -87.43 127.75 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.733 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -28.79 -69.43 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 110.35 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.896 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.96 -159.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.559 ' HA ' HD11 ' A' ' 110' ' ' ILE . 6.1 m -148.43 -79.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.964 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.426 ' OG ' ' HA ' ' A' ' 112' ' ' PHE . 34.0 t -107.13 160.89 15.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.44 1.088 . . . . 0.0 110.072 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.82 30.19 32.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.417 1.073 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.643 ' CD1' HG11 ' A' ' 69' ' ' VAL . 9.7 mt -78.45 164.94 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.234 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.609 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.0 OUTLIER -125.87 149.7 48.47 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.458 1.099 . . . . 0.0 109.919 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -56.61 77.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.609 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 123.72 39.37 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.064 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 14' ' ' SER . 59.3 m -88.87 110.9 21.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.399 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -73.48 124.56 30.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.631 HG21 HG13 ' A' ' 7' ' ' VAL . 4.6 m -143.08 160.52 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -95.58 125.1 39.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.406 ' HB ' ' O ' ' A' ' 65' ' ' THR . 58.9 t -102.54 98.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -90.35 123.73 34.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.432 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -110.05 82.3 0.3 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -82.0 116.91 21.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.392 0.701 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.0 40.72 98.49 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.539 1.149 . . . . 0.0 111.053 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.644 HD13 ' N ' ' A' ' 27' ' ' GLN . 3.4 tm? -103.69 -94.65 0.32 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.62 0.835 . . . . 0.0 109.371 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.644 ' N ' HD13 ' A' ' 26' ' ' LEU . 15.0 mt-30 -48.81 -21.77 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.401 1.063 . . . . 0.0 110.292 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 71.26 6.65 5.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.671 1.232 . . . . 0.0 109.363 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.58 0.54 23.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.585 1.178 . . . . 0.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -80.54 -158.86 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 0.738 . . . . 0.0 110.428 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.729 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -136.65 115.54 12.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.412 1.07 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.563 ' CD1' ' HA ' ' A' ' 99' ' ' ASP . 16.3 m-30 -122.75 163.96 19.21 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.432 1.082 . . . . 0.0 110.985 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' SER . 22.4 m-20 -88.82 119.26 29.15 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.891 HG21 HG21 ' A' ' 65' ' ' THR . 61.0 t -78.04 131.86 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.369 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.626 ' O ' H182 ' A' ' 130' ' ' NCZ . . . 173.42 150.62 7.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.746 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -93.93 113.97 26.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 110.278 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.569 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 0.7 OUTLIER -108.72 148.38 30.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.254 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -170.06 159.75 7.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.209 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 14.9 p90 -69.92 111.72 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 108.021 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.802 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -95.07 -45.36 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.593 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -90.25 -163.32 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.402 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 m -66.46 83.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.353 1.033 . . . . 0.0 110.347 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.9 25.09 71.83 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.488 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 74.2 t -102.84 109.22 26.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 109.291 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.485 ' CD2' H173 ' A' ' 130' ' ' NCZ . 0.2 OUTLIER -62.16 99.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.802 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -110.77 140.19 45.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.638 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 16.3 m -104.4 155.6 18.65 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.538 1.149 . . . . 0.0 108.225 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.637 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -84.97 169.48 16.25 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.64 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.13 -10.25 20.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.56 13.68 29.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.4 1.062 . . . . 0.0 109.384 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.586 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -90.07 6.83 40.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 2.2 m-85 -106.62 91.38 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -145.27 78.17 1.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 110.056 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p -45.69 139.34 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.65 HG21 ' OG1' ' A' ' 65' ' ' THR . 0.4 OUTLIER -164.0 161.33 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.729 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -132.79 158.41 42.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 110.29 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 1.085 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.89 152.95 23.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -66.06 158.76 27.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.234 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.61 -29.41 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 0.0 109.24 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 58' ' ' ASP . 3.5 t-20 -88.35 34.54 0.75 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.525 1.141 . . . . 0.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.59 41.45 3.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.43 1.081 . . . . 0.0 111.065 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 14.0 m -108.87 100.7 9.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 0.798 . . . . 0.0 110.037 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 1.085 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.19 86.86 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.355 1.035 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.8 p -88.51 76.87 8.14 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.585 1.178 . . . . 0.0 109.852 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.891 HG21 HG21 ' A' ' 34' ' ' VAL . 2.5 t -106.38 140.13 39.78 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 0.0 110.493 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.53 ' O ' HD22 ' A' ' 67' ' ' LEU . 51.1 p -103.84 139.31 39.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.53 HD22 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -145.34 168.73 19.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.2 t -104.21 133.78 48.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.373 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.643 HG11 ' CD1' ' A' ' 13' ' ' LEU . 81.3 t -88.44 85.95 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.684 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 2.6 mtp180 -89.5 71.74 7.95 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.518 1.137 . . . . 0.0 110.246 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 25.3 ttm180 -34.88 -33.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.526 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 1.0 OUTLIER -97.49 121.02 38.91 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.114 . . . . 0.0 110.08 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.684 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -167.62 170.04 11.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.938 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.436 ' OE1' ' CA ' ' A' ' 84' ' ' GLY . 5.0 tp10 -90.8 110.8 22.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.646 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -68.61 138.98 32.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.623 1.202 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.58 ' CE2' ' HG2' ' A' ' 82' ' ' ARG . 4.6 m-85 -122.91 109.88 14.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.973 HD23 HG23 ' A' ' 81' ' ' THR . 0.2 OUTLIER -58.43 132.79 54.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.391 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -59.29 -22.19 60.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -53.14 61.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.357 1.036 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.22 -27.04 0.43 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.973 HG23 HD23 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -82.57 150.04 27.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 0.726 . . . . 0.0 110.434 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.58 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -98.76 138.29 36.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.593 ' CE3' ' OD1' ' A' ' 41' ' ' ASP . 69.1 t-105 -100.67 -89.59 0.34 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.516 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 142.04 -81.3 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.637 ' OG1' HG22 ' A' ' 40' ' ' VAL . 1.2 m 69.02 -57.64 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 110.358 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.543 ' HB ' ' O ' ' A' ' 85' ' ' THR . 59.9 t 75.99 -102.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.415 ' N ' HG12 ' A' ' 86' ' ' VAL . 2.6 t0 -54.64 106.83 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 44.8 t -86.43 47.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.334 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.3 t -92.87 -20.86 20.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 m -88.35 -57.12 3.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.45 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.412 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.47 148.02 23.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.171 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -85.96 124.12 32.05 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -90.15 121.48 32.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.474 1.109 . . . . 0.0 108.401 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.583 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 29.1 mt-30 -96.31 112.45 24.19 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.639 1.212 . . . . 0.0 110.231 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.584 ' CG2' HG22 ' A' ' 110' ' ' ILE . 2.5 t -87.95 126.02 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.543 ' C ' HD13 ' A' ' 97' ' ' LEU . . . -177.14 169.53 41.85 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.898 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -106.94 113.38 26.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 0.743 . . . . 0.0 109.359 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 33' ' ' ASP . 8.9 t -98.12 164.13 12.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.923 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.563 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -52.76 163.49 0.46 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.84 -38.82 36.76 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.04 -27.84 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.227 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ASP . . . 94.42 20.29 30.16 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.555 1.159 . . . . 0.0 111.071 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -89.63 143.88 26.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.59 0.817 . . . . 0.0 109.196 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.52 123.04 5.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.56 1.163 . . . . 0.0 111.039 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.529 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.5 Cg_endo -74.93 55.38 3.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.849 ' O ' H181 ' A' ' 130' ' ' NCZ . 1.4 mp0 -90.84 99.62 12.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 172.42 145.36 4.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.396 1.06 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 11.2 p -105.4 130.61 56.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 O-C-N 124.438 0.728 . . . . 0.0 109.219 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -66.61 90.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.924 HD13 ' HB ' ' A' ' 7' ' ' VAL . 0.2 OUTLIER -112.18 144.33 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.383 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.3 p 154.18 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.041 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.426 ' HA ' ' OG ' ' A' ' 11' ' ' SER . 11.5 t80 -176.59 169.89 2.52 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.472 1.108 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.401 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.849 H181 ' O ' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.733 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -64.74 -50.78 62.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.379 1.049 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.733 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.2 Cg_endo -75.03 -166.98 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.6 1.842 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.621 ' HB ' HD22 ' A' ' 26' ' ' LEU . 3.9 p 44.97 -137.98 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.453 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.661 ' N ' HD23 ' A' ' 26' ' ' LEU . . . -79.69 133.0 36.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.594 1.184 . . . . 0.0 109.228 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.744 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -151.19 179.46 8.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.795 HG11 HD11 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -116.63 134.23 60.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.511 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -43.05 -57.26 5.3 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.56 1.162 . . . . 0.0 110.379 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.896 ' CG ' HG21 ' A' ' 19' ' ' VAL . 18.0 Cg_endo -74.99 -159.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.613 1.849 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' GLY . 50.4 m -148.66 -45.4 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.055 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 13' ' ' LEU . 67.7 m -69.37 63.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.657 ' CA ' HG21 ' A' ' 69' ' ' VAL . . . -39.42 -27.55 0.09 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.935 ' O ' HD12 ' A' ' 13' ' ' LEU . 4.0 pp -81.29 60.61 4.45 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.452 0.736 . . . . 0.0 109.238 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.659 ' O ' ' C ' ' A' ' 15' ' ' ASP . 41.3 t -127.43 81.8 2.04 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.618 1.199 . . . . 0.0 110.059 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.659 ' C ' ' O ' ' A' ' 14' ' ' SER . 2.1 m-20 16.73 78.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 69' ' ' VAL . . . 36.82 66.87 0.46 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.428 1.08 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.503 ' O ' HG12 ' A' ' 69' ' ' VAL . 1.0 OUTLIER -73.87 124.49 26.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 110.428 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.0 OUTLIER -93.85 126.9 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.896 HG21 ' CG ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -149.09 -168.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.368 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -117.71 138.45 52.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.744 HG13 ' O ' ' A' ' 6' ' ' THR . 2.6 t -104.28 114.98 45.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.94 139.99 30.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.434 1.084 . . . . 0.0 109.119 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.617 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -118.72 101.61 0.89 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.02 104.18 16.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.353 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.52 30.23 25.01 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.85 ' HG ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -90.87 -144.4 0.18 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 0.77 . . . . 0.0 109.336 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.928 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 21.0 mm-40 -51.51 89.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.81 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 74.86 7.21 80.5 Favored Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.548 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -89.81 -178.2 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.797 . . . . 0.0 110.335 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.613 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -137.23 116.67 12.79 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.121 . . . . 0.0 109.374 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 1.003 ' HB2' HD12 ' A' ' 97' ' ' LEU . 2.9 m-30 -118.45 -168.06 1.47 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 2.8 t0 -122.63 117.09 24.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 109.164 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.976 HG23 HG21 ' A' ' 55' ' ' VAL . 1.3 t -74.51 142.62 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.632 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 174.73 152.86 9.5 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.482 1.114 . . . . 0.0 111.064 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.598 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.74 101.26 13.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.629 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 5.3 t -106.22 149.83 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 108.333 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 92' ' ' ALA . . . -177.25 159.87 1.64 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.7 p90 -64.71 114.23 4.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 108.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.967 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -97.8 -42.73 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.603 ' OD1' HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -90.9 -161.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.7 m -68.25 79.16 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.75 25.04 75.99 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.547 1.154 . . . . 0.0 110.941 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.575 HG11 HD13 ' A' ' 77' ' ' LEU . 88.1 t -103.43 110.06 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.404 0.708 . . . . 0.0 109.378 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.629 HD22 H173 ' A' ' 130' ' ' NCZ . 14.9 mt -58.32 102.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.06 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.967 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -114.23 130.16 56.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.588 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 17.5 m -97.03 156.34 16.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 108.405 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.538 ' ND2' ' HB2' ' A' ' 36' ' ' GLN . 2.0 m-20 -85.29 163.4 45.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.98 -8.77 20.39 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.72 15.78 23.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 109.265 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.632 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -88.35 12.9 12.88 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.53 1.144 . . . . 0.0 109.218 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 1.1 m-85 -105.6 94.95 5.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.494 ' HB3' HG12 ' A' ' 34' ' ' VAL . 42.4 t -145.17 81.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.079 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.9 p -45.7 133.14 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.37 1.044 . . . . 0.0 110.044 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.976 HG21 HG23 ' A' ' 34' ' ' VAL . 7.0 m -151.29 169.06 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.241 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.613 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -145.71 147.1 31.59 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.548 1.155 . . . . 0.0 110.39 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.928 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -107.5 146.87 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -66.49 158.24 30.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.625 1.203 . . . . 0.0 109.225 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.39 -28.01 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.443 ' N ' ' C ' ' A' ' 58' ' ' ASP . 5.1 t30 -88.66 33.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 44.6 40.6 6.51 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.638 1.211 . . . . 0.0 111.062 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -100.9 96.46 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 0.0 109.96 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.748 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -95.1 101.29 13.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.343 1.027 . . . . 0.0 109.363 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.4 m -100.16 83.8 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.373 1.045 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.772 HG21 HG21 ' A' ' 34' ' ' VAL . 2.6 t -106.54 167.12 10.06 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.8 p -146.81 139.32 24.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.077 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' A' ' 67' ' ' LEU . 7.1 tp -166.92 177.0 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.68 HG23 ' HG3' ' A' ' 70' ' ' ARG . 15.1 t -107.5 145.79 32.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.477 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.657 HG21 ' CA ' ' A' ' 12' ' ' GLY . 15.0 p -89.0 84.88 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.68 ' HG3' HG23 ' A' ' 68' ' ' THR . 9.2 mtt180 -88.21 77.98 8.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.347 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -40.31 -39.89 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 2.2 p -83.8 115.2 22.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.499 ' CE2' ' HB2' ' A' ' 88' ' ' CYS . 7.2 p90 -159.14 155.34 27.05 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.426 1.079 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 3.5 tp10 -86.93 93.23 9.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.673 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -50.03 155.07 2.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -143.4 107.31 4.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 0.726 . . . . 0.0 110.99 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.712 HD21 ' HB2' ' A' ' 83' ' ' TRP . 4.5 mt -48.58 129.67 16.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -54.26 -29.39 46.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.955 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -55.56 -50.79 69.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.375 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.44 -25.61 0.53 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.939 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.0 m -75.78 141.25 42.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.385 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -93.85 138.77 31.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.712 ' HB2' HD21 ' A' ' 77' ' ' LEU . 67.1 t-105 -105.13 -87.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 108.043 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.501 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 140.12 -83.01 0.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 111.072 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.502 ' OG1' HG22 ' A' ' 40' ' ' VAL . 1.4 m 67.79 -57.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.389 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 85' ' ' THR . 61.9 t 72.34 -103.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.474 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -54.04 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.499 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 49.4 t -74.81 59.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 108.35 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 t -100.61 -25.05 14.3 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.364 1.04 . . . . 0.0 110.338 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 m -89.06 -47.43 8.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.76 147.02 23.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.492 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -87.89 118.01 27.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.404 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -91.93 123.22 35.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 108.257 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.492 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 8.4 mt-30 -97.7 115.59 28.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.351 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.598 HG22 ' HG2' ' A' ' 36' ' ' GLN . 18.3 t -87.95 105.74 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.412 1.07 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -153.09 175.31 31.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.003 HD12 ' HB2' ' A' ' 32' ' ' TYR . 1.4 pt? -106.9 128.1 54.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 0.815 . . . . 0.0 109.227 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.516 ' HB3' ' C8 ' ' A' ' 130' ' ' NCZ . 99.7 p -89.1 162.64 15.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.961 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.524 ' OD1' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -88.91 159.03 17.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.39 0.45 29.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.29 -89.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.632 1.207 . . . . 0.0 109.301 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -172.17 34.3 0.14 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.414 1.071 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.401 ' HA ' ' C15' ' A' ' 130' ' ' NCZ . 1.1 m-80 -147.65 158.45 44.01 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.578 0.811 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.532 ' O ' ' C2 ' ' A' ' 130' ' ' NCZ . . . -171.76 65.15 0.14 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.593 1.183 . . . . 0.0 111.06 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 1.24 7.93 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.84 ' HG2' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -85.95 144.23 27.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 110.212 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 148.87 130.4 1.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.623 1.202 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.7 p -93.83 127.46 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.588 0.816 . . . . 0.0 109.278 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.24 88.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.617 1.198 . . . . 0.0 109.171 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.795 HD11 HG11 ' A' ' 7' ' ' VAL . 1.7 tt -85.37 148.84 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.4 p 154.72 -62.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.941 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -153.92 121.38 5.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 . . . . . 0 C--N 1.323 -0.555 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.724 H181 ' O ' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.64 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -145.2 106.85 4.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.413 ' O ' HG23 ' A' ' 6' ' ' THR . 18.4 Cg_endo -74.97 90.13 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.451 1.764 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.486 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.4 p 43.88 -158.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.451 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.769 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -65.66 119.54 11.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.221 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.2 p -147.55 148.64 31.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.422 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.019 HG12 ' HD2' ' A' ' 9' ' ' PRO . 8.2 t -80.01 131.96 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.37 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.655 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -39.87 -63.39 0.69 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.181 . . . . 0.0 110.327 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.019 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.03 -158.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -142.18 -42.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 110.069 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 13' ' ' LEU . 75.0 m -62.8 78.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.875 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.533 ' C ' ' H ' ' A' ' 14' ' ' SER . . . -74.54 9.63 10.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.004 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 111' ' ' SER . 1.2 mt -77.02 33.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 0.731 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.533 ' H ' ' C ' ' A' ' 12' ' ' GLY . 41.3 t -125.04 75.54 1.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.478 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 8.4 p-10 -49.64 90.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 115.69 33.65 1.53 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.434 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.6 OUTLIER -91.0 117.92 29.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.429 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -88.52 118.58 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.937 HG11 ' CG ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -142.21 -178.25 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -109.6 132.54 54.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 6' ' ' THR . 55.4 t -107.61 103.64 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.39 1.056 . . . . 0.0 109.365 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.72 125.0 35.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -113.35 96.41 0.81 Allowed Glycine 0 CA--C 1.528 0.847 0 O-C-N 124.477 1.111 . . . . 0.0 110.947 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -96.66 118.85 34.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.352 0.678 . . . . 0.0 109.41 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.44 38.77 52.04 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.4 1.063 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.894 ' CD1' HD21 ' A' ' 97' ' ' LEU . 2.3 tt -99.06 -110.63 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 0.729 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.928 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 6.0 mp0 -44.25 -23.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.604 1.19 . . . . 0.0 110.341 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 26' ' ' LEU . . . 65.58 20.1 11.58 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.466 1.104 . . . . 0.0 109.224 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 119.17 -4.87 13.65 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.409 ' CA ' ' HB3' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -87.57 -161.92 0.75 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.572 0.807 . . . . 0.0 110.409 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.511 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -149.74 145.34 26.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 0.0 109.398 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.59 ' CD1' ' HA ' ' A' ' 99' ' ' ASP . 11.3 m-85 -151.18 -170.51 3.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.563 1.164 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.549 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.3 m-20 -101.95 127.49 48.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.611 1.194 . . . . 0.0 109.396 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.639 HG12 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -91.41 150.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.257 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.614 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 165.67 157.41 9.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.725 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.33 103.6 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 0.737 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.653 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 4.3 t -108.22 157.53 18.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.349 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 92' ' ' ALA . . . 176.99 160.82 0.41 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.651 1.219 . . . . 0.0 109.249 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.422 ' CG ' ' O ' ' A' ' 39' ' ' TRP . 18.6 p-90 -64.24 107.71 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 108.019 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.898 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -99.79 -48.62 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.629 1.206 . . . . 0.0 109.246 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.51 ' CG ' ' N ' ' A' ' 42' ' ' THR . 1.1 t70 -93.99 169.72 10.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.226 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 44' ' ' VAL . 6.2 m -32.72 96.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 41.81 25.85 0.24 Allowed Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.412 1.07 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.934 HG11 HD23 ' A' ' 77' ' ' LEU . 3.4 t -102.52 116.01 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.4 0.706 . . . . 0.0 109.202 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.535 HD11 ' SG ' ' A' ' 37' ' ' CYS . 8.0 tp -63.39 105.09 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.17 . . . . 0.0 109.242 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.898 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -117.0 138.68 51.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.481 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 19.0 m -102.6 155.1 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 108.387 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.587 ' ND2' ' HB2' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -81.03 168.25 26.37 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.594 ' HG2' ' CD1' ' A' ' 73' ' ' PHE . 18.6 Cg_endo -74.99 -11.54 21.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.2 14.46 27.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.635 1.209 . . . . 0.0 109.366 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.614 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -86.83 9.73 18.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.466 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 8.9 m-85 -107.55 90.78 3.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.639 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -150.93 87.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.613 1.195 . . . . 0.0 110.044 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 53' ' ' SER . 50.5 p -35.95 152.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.885 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.559 HG11 HG23 ' A' ' 34' ' ' VAL . 7.5 p -155.23 160.51 2.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.408 1.068 . . . . 0.0 109.238 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.511 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 2.7 m -150.81 135.31 17.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.31 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.973 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -105.43 127.9 53.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.601 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -49.26 160.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.36 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.79 -30.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.348 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.432 ' N ' ' C ' ' A' ' 58' ' ' ASP . 4.5 t-20 -89.0 35.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.384 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.05 41.49 3.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.581 1.176 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 1.3 m -105.55 93.87 4.9 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.406 0.709 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.973 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.86 89.34 2.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.182 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -98.73 82.71 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.644 1.215 . . . . 0.0 109.976 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.549 HG21 ' CG2' ' A' ' 55' ' ' VAL . 3.1 t -110.11 138.82 45.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.771 ' O ' HD22 ' A' ' 67' ' ' LEU . 42.4 p -98.43 138.12 36.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.053 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.771 HD22 ' O ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -149.46 176.48 10.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.382 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 17' ' ' THR . 93.5 m -105.38 137.65 42.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.605 1.191 . . . . 0.0 110.402 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.729 HG11 HD13 ' A' ' 110' ' ' ILE . 45.0 t -92.95 87.14 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.544 ' H ' HE22 ' A' ' 36' ' ' GLN . 6.2 mmt180 -87.46 66.45 9.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.626 1.204 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.443 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 3.5 ttm180 -40.53 -31.8 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.599 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -102.79 127.76 49.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.974 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.594 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 174.27 166.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -82.45 107.27 14.98 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.67 169.41 47.95 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.596 1.185 . . . . 0.0 110.989 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.585 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -142.3 123.17 14.38 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.395 0.703 . . . . 0.0 110.97 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.934 HD23 HG11 ' A' ' 44' ' ' VAL . 2.1 mp -58.83 149.02 27.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.473 ' CE2' HG13 ' A' ' 44' ' ' VAL . 34.4 p90 -65.45 -32.57 74.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 111.07 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.472 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 23.9 t0 -46.28 -46.29 17.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.671 1.232 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 145.25 -15.06 1.88 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.481 ' O ' HD12 ' A' ' 77' ' ' LEU . 14.3 m -90.67 153.92 19.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -90.88 140.61 29.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.477 ' CD2' ' HB2' ' A' ' 41' ' ' ASP . 46.0 t-105 -106.27 -92.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.62 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 155.23 -109.67 0.41 Allowed Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.616 1.197 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.62 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 18.7 m 90.79 -53.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.429 0.723 . . . . 0.0 110.344 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.599 ' O ' ' HA ' ' A' ' 72' ' ' SER . 60.5 t 68.08 -105.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.466 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -64.08 93.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 13.3 t -71.2 60.29 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.677 1.235 . . . . 0.0 108.294 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' ASP . 14.9 t -97.61 -19.99 17.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.09 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.5 m -87.76 -53.84 4.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.343 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.43 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.41 155.68 18.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.554 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -90.09 119.83 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.15 121.38 32.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 108.335 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.458 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 23.3 mt-30 -102.13 121.77 42.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.725 HG22 ' HG2' ' A' ' 36' ' ' GLN . 20.6 t -89.51 114.14 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.582 ' C ' H183 ' A' ' 130' ' ' NCZ . . . -166.91 175.1 42.23 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.894 HD21 ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -107.56 136.19 47.74 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.395 0.703 . . . . 0.0 109.298 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 32' ' ' TYR . 76.7 p -93.37 150.23 20.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 110.046 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.59 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -87.15 157.86 19.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.54 16.16 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.51 -15.2 15.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.6 45.31 4.65 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.57 1.169 . . . . 0.0 111.082 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 19.6 m-20 -117.82 165.3 13.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 109.277 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -106.44 102.32 1.89 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.414 1.071 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.488 ' CG ' ' O ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.97 -175.99 2.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.49 112.52 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -102.52 153.43 18.4 Favored Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.525 1.141 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.656 ' O ' HG13 ' A' ' 108' ' ' VAL . 5.6 p -100.96 102.3 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.419 0.717 . . . . 0.0 109.338 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.51 85.91 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.492 1.12 . . . . 0.0 109.429 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.761 HD12 HG21 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -80.8 154.56 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.624 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER 156.3 -62.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.081 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.558 ' CD1' ' C ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -140.71 149.26 41.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 110.895 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--N 1.328 -0.339 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 179.917 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.653 ' C6 ' ' CB ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.697 ' N ' ' CD ' ' A' ' 3' ' ' PRO . . . -77.63 -41.14 2.22 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.348 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.697 ' CD ' ' N ' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -75.04 87.49 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.786 ' HB ' HD22 ' A' ' 26' ' ' LEU . 3.9 p 39.32 -150.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.456 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.913 ' HB1' ' CG1' ' A' ' 21' ' ' VAL . . . -70.79 129.54 39.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER -137.76 141.4 40.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.451 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.891 HG13 HG21 ' A' ' 19' ' ' VAL . 3.3 t -77.11 120.82 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.337 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.716 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -33.07 -67.53 0.19 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.35 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.809 ' CG ' HG11 ' A' ' 19' ' ' VAL . 18.0 Cg_endo -75.04 -158.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.02 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.521 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -139.19 -45.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.412 1.07 . . . . 0.0 109.942 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 111' ' ' SER . 84.0 p -77.15 81.45 3.66 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.485 1.115 . . . . 0.0 110.034 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -73.02 1.06 42.46 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.027 HD23 ' O ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -66.59 62.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.618 0.834 . . . . 0.0 109.401 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -144.35 117.62 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.936 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 14' ' ' SER . 4.6 m-20 -35.49 94.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 59.5 67.3 2.23 Favored Glycine 0 CA--C 1.528 0.869 0 O-C-N 124.567 1.167 . . . . 0.0 111.055 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 69' ' ' VAL . 2.2 m -70.01 109.83 4.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 0.728 . . . . 0.0 110.466 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.802 HG22 HG23 ' A' ' 68' ' ' THR . 1.6 t -84.84 112.6 22.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.587 1.179 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.891 HG21 HG13 ' A' ' 7' ' ' VAL . 30.1 m -138.94 -176.71 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.28 133.96 55.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.913 ' CG1' ' HB1' ' A' ' 5' ' ' ALA . 1.5 t -107.65 104.22 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 O-C-N 124.424 1.077 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -88.26 121.96 31.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.423 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -102.1 127.52 9.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.572 1.17 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -119.44 103.57 9.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 0.0 109.226 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.16 18.11 47.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.424 1.078 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.002 ' HG ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -76.56 -142.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.918 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 10.5 mm100 -54.48 87.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.599 1.187 . . . . 0.0 110.354 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -55.7 87.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 72.68 2.21 55.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.049 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.459 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.77 -176.27 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 110.418 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -139.45 122.48 16.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.637 ' CE1' ' NE2' ' A' ' 27' ' ' GLN . 2.6 m-30 -117.77 -171.08 1.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.468 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 6.0 p-10 -111.6 110.54 20.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.226 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.769 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -80.2 139.11 18.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.599 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 178.49 158.69 21.62 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.557 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -94.78 97.08 9.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 0.728 . . . . 0.0 110.412 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.757 ' SG ' HD11 ' A' ' 45' ' ' LEU . 4.5 t -106.81 155.47 19.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 108.394 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 173.54 161.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -60.58 119.03 7.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.096 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.973 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -99.62 -44.57 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.464 ' CB ' ' HB ' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -83.5 -152.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 42' ' ' THR . 8.2 t -77.92 54.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.97 -9.16 50.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.626 1.204 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 64.7 t -69.97 112.48 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.757 HD11 ' SG ' ' A' ' 37' ' ' CYS . 1.6 tm? -60.17 112.89 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.973 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -126.39 137.3 53.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.567 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 15.7 m -105.35 152.24 23.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 108.274 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.557 ' ND2' ' O ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -82.81 165.02 44.04 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.0 109.468 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.64 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.08 -9.43 20.66 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.499 1.789 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.49 14.83 26.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.599 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.48 8.77 23.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -105.97 93.56 4.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.943 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.55 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -146.84 84.16 1.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.934 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' SER . 84.1 p -36.28 141.94 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.11 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.635 HG11 HG23 ' A' ' 34' ' ' VAL . 9.3 p -147.91 159.74 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 124.65 1.219 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.748 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -147.4 137.1 22.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 1.042 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.45 141.14 38.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.57 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -62.33 158.96 16.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.06 -28.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.439 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.4 t-20 -88.23 35.08 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.96 38.64 2.56 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.464 1.102 . . . . 0.0 111.095 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.42 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -99.32 97.35 8.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 0.745 . . . . 0.0 110.038 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 1.042 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.67 80.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.406 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.7 p -90.54 76.73 6.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.952 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.731 HG21 HG21 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -109.57 141.51 41.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.512 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.1 p -102.39 154.03 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.666 HD13 HG11 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -158.36 166.82 31.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.648 1.218 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.802 HG23 HG22 ' A' ' 18' ' ' VAL . 25.9 m -106.3 138.44 42.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 17' ' ' THR . 19.3 t -88.46 83.19 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.398 1.061 . . . . 0.0 109.378 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 72' ' ' SER . 29.2 mtt180 -88.96 66.75 7.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.455 ' NH2' ' HB3' ' A' ' 13' ' ' LEU . 16.3 ttm180 -35.94 -32.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 77.5 p -89.2 107.42 19.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.606 ' CZ ' ' HB2' ' A' ' 88' ' ' CYS . 0.2 OUTLIER -157.33 165.23 36.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.612 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 29.9 tt0 -96.46 87.53 4.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.73 160.96 1.36 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.583 1.177 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.612 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 61.0 m-85 -140.83 115.65 9.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 83' ' ' TRP . 14.1 mt -57.64 135.64 56.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.394 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -56.62 -30.15 62.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.18 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -50.95 -22.64 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.199 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.84 -16.15 12.32 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.496 1.123 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 42.1 m -88.83 133.39 34.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 0.825 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.574 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -77.77 138.81 39.21 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.503 1.127 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.675 ' CD1' HG13 ' A' ' 40' ' ' VAL . 54.5 t-105 -105.73 -87.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 108.013 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.604 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 140.66 -104.63 0.4 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.557 1.161 . . . . 0.0 111.03 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.604 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 7.6 m 89.93 -52.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 110.437 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 72' ' ' SER . 92.9 t 69.64 -104.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.529 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -58.76 90.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.386 1.054 . . . . 0.0 109.265 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.606 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 8.8 t -71.25 60.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' ASP . 12.6 t -99.49 -19.48 16.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.346 1.029 . . . . 0.0 110.405 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.7 m -88.99 -55.35 3.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.504 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.423 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.17 154.49 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.643 1.214 . . . . 0.0 109.246 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.73 123.0 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 124.2 35.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 108.312 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.51 ' H ' ' HB2' ' A' ' 38' ' ' ALA . 25.5 mt-30 -100.26 117.44 34.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.513 HG22 ' HG2' ' A' ' 36' ' ' GLN . 20.5 t -89.14 110.21 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.617 1.198 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -160.58 171.33 36.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.002 HD11 ' HG ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -106.4 133.53 50.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.354 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.97 158.73 15.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -79.59 160.48 26.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.77 11.57 12.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.78 -59.11 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.401 1.063 . . . . 0.0 109.25 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.43 48.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.574 1.171 . . . . 0.0 111.036 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -149.51 157.53 43.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 0.793 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.43 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -140.81 62.62 0.54 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.0 Cg_endo -75.06 -16.8 19.88 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.61 ' O ' H181 ' A' ' 130' ' ' NCZ . 0.7 OUTLIER -89.06 140.93 28.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.584 1.177 . . . . 0.0 110.245 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.4 ' C ' ' HB3' ' A' ' 94' ' ' GLN . . . 151.87 118.36 0.78 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 108' ' ' VAL . 0.8 OUTLIER -105.39 119.63 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.37 93.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.559 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -97.89 149.22 5.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . 1.027 ' O ' HD23 ' A' ' 13' ' ' LEU . 1.1 t 154.48 -54.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -144.48 134.89 24.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.41 1.069 . . . . 0.0 109.359 179.931 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.61 H181 ' O ' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.71 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -173.26 102.6 0.31 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.493 ' O ' HG23 ' A' ' 6' ' ' THR . 18.4 Cg_endo -74.98 96.29 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.591 1.837 . . . . 0.0 111.075 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.782 ' HB ' HD22 ' A' ' 26' ' ' LEU . 2.5 p 42.36 -152.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.396 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.418 ' H ' ' CD2' ' A' ' 26' ' ' LEU . . . -73.16 115.49 12.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.363 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -139.38 147.86 42.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.362 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.746 HG13 ' HD2' ' A' ' 9' ' ' PRO . 2.0 t -83.34 129.23 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.414 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.751 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -37.22 -69.16 0.2 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.343 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.949 ' CG ' HG11 ' A' ' 19' ' ' VAL . 18.6 Cg_endo -74.94 -161.55 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.464 1.77 . . . . 0.0 111.095 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -136.43 -49.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 111' ' ' SER . 89.0 p -64.05 76.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.615 1.197 . . . . 0.0 109.925 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' SER . . . -64.09 -8.3 28.89 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.563 HD12 ' O ' ' A' ' 111' ' ' SER . 0.7 OUTLIER -70.14 56.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 0.707 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.519 ' HB3' ' CB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -132.32 115.67 15.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' SER . 20.5 p-10 -36.13 96.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.379 1.049 . . . . 0.0 109.199 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 47.09 68.6 1.1 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.59 1.181 . . . . 0.0 110.979 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.519 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -77.26 125.11 28.81 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.351 0.677 . . . . 0.0 110.354 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.525 HG22 HG23 ' A' ' 68' ' ' THR . 1.7 t -96.25 115.49 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.949 HG11 ' CG ' ' A' ' 9' ' ' PRO . 1.7 m -137.8 -172.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -110.64 135.57 51.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 6' ' ' THR . 83.6 t -112.47 101.95 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -88.17 125.19 34.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.517 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -112.24 81.12 0.28 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.371 1.044 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -85.7 124.78 32.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.374 0.69 . . . . 0.0 109.296 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 82.63 18.4 66.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.572 1.17 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.782 HD22 ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -88.24 -146.84 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 0.742 . . . . 0.0 109.336 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.971 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -68.25 84.47 0.25 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.405 1.066 . . . . 0.0 110.286 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.613 ' HB1' ' O ' ' A' ' 59' ' ' ALA . . . -67.44 98.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.01 -16.4 59.46 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.42 1.075 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.565 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -92.09 -178.84 5.1 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.573 0.807 . . . . 0.0 110.437 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.946 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -157.15 156.45 32.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.677 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -152.35 -165.22 2.15 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.566 1.166 . . . . 0.0 111.034 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -104.77 112.21 25.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.557 HG21 HG21 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -78.74 136.74 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.647 1.217 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.632 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 179.3 154.94 13.81 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.648 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.26 101.0 12.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 0.727 . . . . 0.0 110.389 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.646 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 4.7 t -107.03 155.12 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 177.13 163.65 0.5 Allowed 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.59 1.181 . . . . 0.0 109.233 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.514 ' CD1' ' O ' ' A' ' 39' ' ' TRP . 28.6 p90 -63.57 109.65 1.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 108.012 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.955 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -99.87 -34.25 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.229 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.568 ' OD1' ' CD2' ' A' ' 83' ' ' TRP . 1.7 t70 -89.47 -155.15 0.34 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.748 ' O ' HG23 ' A' ' 42' ' ' THR . 6.3 t -80.7 53.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.358 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.76 4.13 42.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.39 1.057 . . . . 0.0 111.092 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.462 HG23 ' HB3' ' A' ' 41' ' ' ASP . 5.8 t -89.35 116.62 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.405 0.709 . . . . 0.0 109.437 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.531 HD22 H173 ' A' ' 130' ' ' NCZ . 0.8 OUTLIER -63.6 100.02 0.25 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.499 1.124 . . . . 0.0 109.232 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.955 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -109.82 137.94 46.9 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.581 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 5.9 m -101.88 153.16 20.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 108.332 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.632 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -81.23 169.91 17.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.234 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.596 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.0 Cg_endo -74.92 -11.46 21.64 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.417 1.746 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.48 17.56 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.632 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -87.43 5.14 40.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.398 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.596 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -107.48 93.11 4.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.153 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.526 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -150.12 84.88 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' SER . 23.8 p -38.21 133.67 0.91 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.622 1.202 . . . . 0.0 109.937 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.744 HG13 HG21 ' A' ' 65' ' ' THR . 2.5 t -140.59 159.38 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.375 1.047 . . . . 0.0 109.284 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.946 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -145.13 148.22 33.37 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.43 1.081 . . . . 0.0 110.394 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.971 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -107.44 138.04 44.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -65.05 155.13 35.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.645 1.216 . . . . 0.0 109.333 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.613 ' O ' ' HB1' ' A' ' 28' ' ' ALA . . . -42.56 -27.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.395 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.448 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.3 t-20 -88.17 32.82 0.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.383 1.052 . . . . 0.0 109.203 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.36 43.74 3.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.591 1.182 . . . . 0.0 111.037 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 58.0 m -119.0 105.19 11.19 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.482 0.754 . . . . 0.0 109.983 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.608 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.43 85.58 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.2 m -93.72 75.09 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.042 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.744 HG21 HG13 ' A' ' 55' ' ' VAL . 68.5 p -110.45 136.71 49.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.352 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.609 ' O ' HD22 ' A' ' 67' ' ' LEU . 80.2 p -90.83 139.75 30.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.382 1.051 . . . . 0.0 110.026 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -142.67 166.97 23.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.159 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.525 HG23 HG22 ' A' ' 18' ' ' VAL . 87.3 m -106.22 132.55 52.15 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.554 1.159 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.494 ' CG2' HG22 ' A' ' 17' ' ' THR . 45.5 t -89.44 85.18 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.569 1.168 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.697 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 9.6 mtt180 -86.61 60.78 6.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 39.0 ttp180 -36.36 -32.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.642 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 96.7 p -102.17 125.37 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.194 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.697 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 178.9 177.54 0.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.341 1.025 . . . . 0.0 110.897 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.434 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -93.09 105.87 17.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.383 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.77 167.17 38.49 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.548 1.155 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.541 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -142.16 117.24 10.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 0.798 . . . . 0.0 111.004 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 41' ' ' ASP . 24.7 mt -58.72 131.0 49.58 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.5 -28.28 8.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -50.37 -53.17 31.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.5 -20.6 0.72 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.5 m -89.27 145.51 25.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.454 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 17.5 mtm-85 -83.3 140.52 32.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.235 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.568 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 77.1 t-105 -105.82 -91.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 107.91 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 155.13 -101.3 0.2 Allowed Glycine 0 CA--C 1.532 1.133 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.652 ' OG1' HG22 ' A' ' 40' ' ' VAL . 17.0 m 88.43 -52.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 0.816 . . . . 0.0 110.442 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.642 ' O ' ' HA ' ' A' ' 72' ' ' SER . 99.4 t 67.9 -107.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.624 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -62.49 102.57 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.234 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 42.3 t -82.56 53.31 2.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.544 1.153 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.9 t -96.03 -22.68 17.21 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.509 1.13 . . . . 0.0 110.384 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 m -89.28 -54.17 4.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.406 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -85.72 140.18 30.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -80.21 119.15 22.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.43 1.081 . . . . 0.0 109.191 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.89 124.55 35.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 108.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.51 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 75.8 mt-30 -98.69 113.59 25.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.648 HG22 ' HG2' ' A' ' 36' ' ' GLN . 6.4 t -87.8 106.44 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -155.08 179.8 30.83 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.455 1.097 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.832 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -106.1 143.96 33.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.767 . . . . 0.0 109.194 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' ' 32' ' ' TYR . 1.4 p -87.7 138.01 31.84 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.515 1.135 . . . . 0.0 109.957 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.98 159.67 30.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.216 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.99 6.73 27.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.603 1.189 . . . . 0.0 109.294 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.38 -32.1 15.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.392 1.057 . . . . 0.0 109.321 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 118.35 39.24 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.418 1.073 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -149.59 154.69 39.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.677 0.869 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.411 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -132.87 63.09 0.63 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.418 1.074 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.2 Cg_endo -75.09 -22.55 14.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.958 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.409 ' HB3' HD22 ' A' ' 97' ' ' LEU . 1.6 tm-20 -84.59 142.65 29.81 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.525 1.141 . . . . 0.0 110.256 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 145.62 136.42 2.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.609 1.193 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -105.5 122.15 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.368 0.687 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.67 94.28 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.492 1.12 . . . . 0.0 109.197 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.578 ' O ' ' CB ' ' A' ' 111' ' ' SER . 2.7 tp -91.01 156.39 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.578 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER 152.8 -61.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -137.29 142.16 41.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 52.9 t30 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.646 ' C6 ' ' CB ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.799 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -163.64 99.93 0.96 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.486 ' C ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo -75.08 90.48 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.648 1.867 . . . . 0.0 110.95 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.502 ' HB ' HD22 ' A' ' 26' ' ' LEU . 1.1 p 54.61 -159.63 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 110.353 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.733 ' H ' HD23 ' A' ' 26' ' ' LEU . . . -60.67 128.94 39.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 109.368 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.2 p -150.39 146.27 26.6 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.517 1.135 . . . . 0.0 110.476 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.675 ' H ' HG11 ' A' ' 108' ' ' VAL . 3.0 t -74.5 123.08 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.728 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -32.52 -68.82 0.14 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.355 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.837 ' CG ' HG11 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.05 -159.56 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.584 1.834 . . . . 0.0 111.038 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 111' ' ' SER . 27.7 m -136.93 -49.04 0.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 110.028 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.426 ' HA ' ' HB3' ' A' ' 111' ' ' SER . 43.5 p -70.77 57.74 0.2 Allowed 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.425 1.078 . . . . 0.0 109.991 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.67 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -57.22 -13.62 10.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.373 1.046 . . . . 0.0 111.013 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.797 HD23 ' O ' ' A' ' 111' ' ' SER . 0.5 OUTLIER -54.77 74.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.805 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.67 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -151.06 123.69 8.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.142 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 14' ' ' SER . 20.1 p-10 -36.45 93.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 52.69 67.25 2.18 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.486 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.5 OUTLIER -74.53 128.99 36.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 110.497 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.69 118.38 38.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.226 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.837 HG11 ' CG ' ' A' ' 9' ' ' PRO . 1.4 m -142.7 -176.62 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -118.33 127.87 54.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.597 1.185 . . . . 0.0 109.243 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.506 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.7 t -99.0 96.85 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.216 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.13 135.23 33.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.477 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -117.53 120.23 4.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -102.36 96.73 7.14 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.501 0.765 . . . . 0.0 109.357 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.25 21.05 12.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.733 HD23 ' H ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -82.49 -141.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 0.722 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.988 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 18.9 mm-40 -51.65 89.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.75 84.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 78.12 4.69 86.61 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.511 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.2 -175.11 4.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.534 0.785 . . . . 0.0 110.408 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.757 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -139.07 114.36 9.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.661 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.3 m-30 -117.75 165.37 13.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 33.0 m-20 -91.3 127.59 36.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.684 1.24 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.052 HG23 ' HB3' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -100.44 137.32 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.623 1.202 . . . . 0.0 109.316 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.566 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 172.99 125.26 0.82 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.388 1.055 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.674 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -56.0 99.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.506 0.768 . . . . 0.0 110.213 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 3.4 t -106.67 157.86 17.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.598 1.186 . . . . 0.0 108.345 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.584 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . 178.97 166.2 0.92 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 109.384 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.51 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 40.2 p90 -72.38 111.66 7.77 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.876 HG22 ' OG1' ' A' ' 85' ' ' THR . 0.7 OUTLIER -98.16 -46.74 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.603 ' OD2' ' CH2' ' A' ' 83' ' ' TRP . 2.4 t0 -85.14 -160.72 0.52 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -67.05 80.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.62 1.2 . . . . 0.0 110.365 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.78 21.35 71.13 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 78' ' ' PHE . 15.0 t -97.67 111.0 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.903 HD22 H173 ' A' ' 130' ' ' NCZ . 0.2 OUTLIER -63.06 96.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.524 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -107.89 139.9 41.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.384 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.598 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 57.0 m -97.43 155.41 16.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 108.413 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.529 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 1.3 m-80 -79.68 168.2 28.17 Favored Pre-proline 0 C--N 1.323 -0.564 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.652 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -74.99 -16.73 20.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.32 15.15 26.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.571 1.17 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.647 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.75 17.09 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.389 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.652 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -105.17 87.06 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.598 1.186 . . . . 0.0 110.912 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.437 ' HB3' HG12 ' A' ' 34' ' ' VAL . 1.1 t -148.02 84.36 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -57.61 146.9 28.86 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.523 1.139 . . . . 0.0 109.951 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.816 HG21 ' HB ' ' A' ' 65' ' ' THR . 7.4 p -159.39 151.91 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.757 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -121.02 149.69 42.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.493 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 1.039 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.06 145.57 31.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.266 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.577 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -69.62 159.21 33.83 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.415 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.9 -28.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.448 1.092 . . . . 0.0 109.239 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.436 ' N ' ' C ' ' A' ' 58' ' ' ASP . 21.5 t30 -88.7 34.58 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.385 1.053 . . . . 0.0 109.268 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.72 40.65 4.02 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.505 1.128 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.7 OUTLIER -101.94 96.5 7.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 0.773 . . . . 0.0 109.985 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 1.039 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -104.03 97.75 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.9 m -101.72 93.95 5.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.889 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.921 HG21 HG21 ' A' ' 34' ' ' VAL . 7.4 t -106.05 162.36 13.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.3 p -137.9 121.77 17.68 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.577 1.173 . . . . 0.0 109.955 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.82 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -151.23 176.44 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.631 1.207 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.82 ' H ' HD13 ' A' ' 67' ' ' LEU . 6.2 t -105.24 137.28 43.27 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.431 1.082 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.81 HG11 HG12 ' A' ' 110' ' ' ILE . 39.4 t -89.22 84.71 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.463 ' HG2' HG23 ' A' ' 68' ' ' THR . 14.1 mmt180 -90.14 71.47 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.421 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' A' ' 113' ' ' ASN . 19.3 ttp180 -43.4 -35.43 1.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 88.6 p -94.96 122.6 37.78 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.341 1.026 . . . . 0.0 109.985 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.56 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 169.88 167.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 110.942 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.523 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 7.6 tt0 -80.68 113.45 18.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.223 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.83 173.59 54.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CE1' ' OE1' ' A' ' 74' ' ' GLU . 7.4 m-85 -135.53 119.06 16.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.771 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.468 HD12 ' HB ' ' A' ' 81' ' ' THR . 59.4 mt -42.85 164.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.335 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' A' ' 79' ' ' ASP . 1.0 OUTLIER -75.61 -31.96 60.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.567 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 7.3 t0 -61.4 -56.57 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.49 -27.04 0.22 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 111.03 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.468 ' HB ' HD12 ' A' ' 77' ' ' LEU . 4.3 m -69.01 136.67 52.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 0.728 . . . . 0.0 110.459 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 27.2 ptt180 -75.57 137.14 40.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.639 ' CD1' HG13 ' A' ' 40' ' ' VAL . 76.9 t-105 -101.7 -88.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.558 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 141.12 -89.38 0.18 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.442 1.089 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.876 ' OG1' HG22 ' A' ' 40' ' ' VAL . 3.2 m 70.5 -56.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.429 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.545 ' HB ' ' O ' ' A' ' 85' ' ' THR . 24.4 t 80.86 -101.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.214 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.95 99.4 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 9.9 t -82.89 61.63 6.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.389 1.056 . . . . 0.0 108.321 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.478 ' HA ' ' CD1' ' A' ' 112' ' ' PHE . 1.2 m -102.04 -13.01 17.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.366 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 m -88.06 -57.66 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -90.34 130.34 36.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.586 1.179 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' A' ' 112' ' ' PHE . . . -65.87 117.61 8.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.584 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -91.04 123.21 34.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 37' ' ' CYS . 13.7 pt20 -106.07 126.6 52.39 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 110.409 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.849 ' O ' HG12 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -96.99 124.15 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.229 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.621 ' O ' H183 ' A' ' 130' ' ' NCZ . . . -173.13 178.48 45.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.052 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.24 121.59 44.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.363 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.7 p -103.69 164.86 11.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.041 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.605 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -62.28 162.18 10.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.5 -1.06 57.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.77 -24.63 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.426 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.28 41.93 1.7 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 10.8 m120 -150.81 165.97 31.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 0.729 . . . . 0.0 109.22 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 106' ' ' GLU . . . 106.2 91.15 2.2 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.396 1.06 . . . . 0.0 111.083 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.577 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.1 Cg_endo -74.98 45.27 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.406 ' H ' ' C ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER -91.84 130.26 37.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.391 1.057 . . . . 0.0 110.332 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.435 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . 178.03 154.58 12.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.12 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.849 HG12 ' O ' ' A' ' 95' ' ' VAL . 13.9 p -106.26 119.06 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.73 93.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.81 HG12 HG11 ' A' ' 69' ' ' VAL . 10.7 tp -69.86 136.3 26.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.226 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.797 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -70.7 61.11 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.895 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 89' ' ' THR . 42.0 p90 -50.21 156.62 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.447 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 1.3 m-20 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.143 . . . . 0.0 109.27 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.903 H173 HD22 ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.659 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.915 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . 165.73 -56.74 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.915 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.6 Cg_endo -75.03 106.56 2.3 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.434 1.755 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.507 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.3 p 46.74 -174.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.864 ' H ' HD23 ' A' ' 26' ' ' LEU . . . -52.11 114.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.385 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.545 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -146.97 138.06 23.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.456 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.009 HG23 HG22 ' A' ' 21' ' ' VAL . 9.1 p -109.68 110.35 31.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.702 HG22 ' CB ' ' A' ' 11' ' ' SER . 0.5 OUTLIER 48.87 167.77 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.455 1.097 . . . . 0.0 110.47 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.508 ' HD2' ' OG1' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.01 -44.57 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.389 1.731 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 11' ' ' SER . 14.4 p -94.34 -75.16 0.52 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.117 . . . . 0.0 109.849 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.877 ' OG ' HG21 ' A' ' 69' ' ' VAL . 0.6 OUTLIER 57.59 152.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 110.006 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.477 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . 82.12 -40.4 2.68 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.445 1.091 . . . . 0.0 111.067 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 13' ' ' LEU . 10.4 mt -35.17 -36.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.454 0.738 . . . . 0.0 109.286 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -126.38 123.32 37.69 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.552 1.157 . . . . 0.0 109.993 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.84 71.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.233 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 138.34 35.86 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.435 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 5.9 m -85.53 110.68 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 110.488 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.9 t -75.47 121.42 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.672 HG11 ' CB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -146.53 -170.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -114.25 136.39 53.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 109.372 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.009 HG22 HG23 ' A' ' 7' ' ' VAL . 2.3 t -108.47 79.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.96 135.95 33.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.574 1.172 . . . . 0.0 109.303 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.507 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -134.41 97.7 0.3 Allowed Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.01 125.15 47.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.612 0.83 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.09 18.26 29.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 111.055 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.864 HD23 ' H ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -90.49 -142.23 0.16 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.403 0.708 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.709 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -73.03 82.27 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' A' ' 59' ' ' ALA . . . -65.91 117.36 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.49 -20.34 47.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.441 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.31 179.56 5.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.767 . . . . 0.0 110.338 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.516 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -145.31 153.36 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.854 ' OH ' ' HB2' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -150.03 -169.01 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.986 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -124.5 119.63 29.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.699 HG12 ' CB ' ' A' ' 53' ' ' SER . 1.0 OUTLIER -73.49 121.83 25.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.645 ' O ' H182 ' A' ' 130' ' ' NCZ . . . -163.75 119.13 0.85 Allowed Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.418 1.074 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.908 ' HG2' HG22 ' A' ' 95' ' ' VAL . 8.2 mt-30 -54.18 87.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 110.189 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.647 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -94.2 145.04 24.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.575 1.172 . . . . 0.0 108.184 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 166.73 165.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.533 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 15.4 m0 -64.47 89.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.616 1.198 . . . . 0.0 107.996 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.52 ' CG1' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -85.94 -39.68 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.577 ' HB2' HD21 ' A' ' 77' ' ' LEU . 7.6 t0 -88.68 -154.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 42' ' ' THR . 3.1 m -76.6 73.29 3.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.629 1.205 . . . . 0.0 110.437 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.2 21.3 76.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.434 1.084 . . . . 0.0 111.018 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.75 ' CG1' HD22 ' A' ' 77' ' ' LEU . 3.2 t -104.9 110.57 31.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.524 0.779 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.676 ' O ' HD23 ' A' ' 45' ' ' LEU . 5.0 tt -65.75 83.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.382 1.051 . . . . 0.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.582 ' HB2' HD23 ' A' ' 77' ' ' LEU . . . -93.22 144.8 24.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.237 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 65.5 m -96.34 156.03 16.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.437 1.086 . . . . 0.0 108.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.489 ' ND2' ' HB2' ' A' ' 36' ' ' GLN . 7.9 m-80 -93.06 112.4 55.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.442 ' HD2' ' O ' ' A' ' 74' ' ' GLU . 18.2 Cg_endo -75.02 7.54 2.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.538 1.81 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.793 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . . . -105.24 -8.17 18.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 36' ' ' GLN . 11.8 t0 -110.4 -12.39 14.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.382 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -45.42 111.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.699 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -152.62 93.71 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 55' ' ' VAL . 5.2 p -56.56 129.19 39.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 54' ' ' SER . 2.1 t -155.47 162.74 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.233 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 1.1 t -120.35 167.12 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.854 ' HB2' ' OH ' ' A' ' 32' ' ' TYR . . . -106.13 126.53 52.33 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.362 1.038 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.671 ' O ' ' N ' ' A' ' 61' ' ' GLY . 2.5 m-20 -53.58 161.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.64 ' O ' ' HB1' ' A' ' 28' ' ' ALA . . . -37.67 -41.36 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -88.51 37.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.201 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.671 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.76 49.14 4.1 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.457 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 75.5 m -110.99 103.41 11.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.801 . . . . 0.0 109.891 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.457 ' HB2' ' OH ' ' A' ' 32' ' ' TYR . . . -107.2 102.08 11.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.369 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.0 p -100.3 84.58 2.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.582 HG23 ' HB ' ' A' ' 21' ' ' VAL . 8.0 t -109.52 115.82 30.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.573 1.171 . . . . 0.0 110.423 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.3 p -88.42 137.33 32.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.046 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.488 HD12 ' HB2' ' A' ' 53' ' ' SER . 0.7 OUTLIER -162.56 175.64 11.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.7 t -105.61 134.88 48.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.877 HG21 ' OG ' ' A' ' 11' ' ' SER . 21.7 t -89.07 86.49 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.421 1.075 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' SER . 17.3 mtt-85 -90.61 69.89 6.74 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.517 1.136 . . . . 0.0 110.23 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 1.3 ttm180 -38.72 -29.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 53.8 m -98.35 110.78 23.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.322 1.014 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.793 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -177.58 163.36 1.92 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.592 1.182 . . . . 0.0 111.023 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.532 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 5.0 tt0 -75.31 125.7 29.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.57 171.35 33.31 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -135.98 117.41 14.73 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.533 0.784 . . . . 0.0 111.064 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.75 HD22 ' CG1' ' A' ' 44' ' ' VAL . 36.0 mt -58.05 133.59 55.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -50.34 -30.33 11.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.17 -51.38 32.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.12 -18.17 1.19 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -89.32 145.22 25.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 110.414 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -83.77 138.24 33.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.558 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 24.7 t-105 -105.46 -89.36 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.123 . . . . 0.0 107.995 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.541 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 147.65 -97.53 0.18 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.462 1.102 . . . . 0.0 110.989 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.541 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 32.7 m 80.27 -53.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 0.804 . . . . 0.0 110.433 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.535 ' O ' ' HA ' ' A' ' 72' ' ' SER . 61.9 t 70.87 -104.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.445 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -59.26 94.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 25.1 t -85.31 50.23 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 108.217 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.7 t -90.57 -17.93 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 91' ' ' ALA . 9.1 t -87.95 -50.64 6.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.355 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.455 ' N ' HG23 ' A' ' 90' ' ' THR . . . -90.58 144.5 25.71 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.424 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -79.87 114.07 18.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.374 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.93 122.5 32.36 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.625 1.203 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 23.7 mt-30 -97.89 113.26 25.03 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.908 HG22 ' HG2' ' A' ' 36' ' ' GLN . 2.0 t -90.53 120.07 38.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.62 1.2 . . . . 0.0 109.377 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.507 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . -172.34 173.48 45.31 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.708 ' CB ' ' CD1' ' A' ' 32' ' ' TYR . 2.7 mp -104.86 125.73 51.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 0.723 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.53 ' HB3' ' C5 ' ' A' ' 130' ' ' NCZ . 9.1 p -105.2 155.43 19.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -58.96 162.12 4.45 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.83 2.16 35.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.634 1.209 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.87 -10.04 38.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.61 40.89 9.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -149.48 157.06 42.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.411 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.13 107.0 3.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 0.0 111.07 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 54.64 3.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.649 ' O ' H181 ' A' ' 130' ' ' NCZ . 1.0 OUTLIER -90.44 115.22 27.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 110.282 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.91 138.16 2.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.568 1.167 . . . . 0.0 111.054 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.867 HG13 HD13 ' A' ' 110' ' ' ILE . 6.5 p -105.6 128.85 59.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.228 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.01 92.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.867 HD13 HG13 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -86.34 170.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.4 OUTLIER 155.92 -62.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.95 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -153.26 147.96 26.28 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 111.056 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.0 t30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.252 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.649 H181 ' O ' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.703 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 1' ' ' ALA . . . 83.96 136.85 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.506 1.128 . . . . 0.0 109.268 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.611 ' C ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo -75.01 160.71 39.82 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.402 1.738 . . . . 0.0 111.068 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.611 HG23 ' C ' ' A' ' 3' ' ' PRO . 0.6 OUTLIER 58.61 172.1 0.06 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.803 ' HB1' ' CG1' ' A' ' 21' ' ' VAL . . . -50.24 121.19 5.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.664 HG22 HG23 ' A' ' 108' ' ' VAL . 1.1 p -144.44 147.89 33.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.892 HG22 HG21 ' A' ' 19' ' ' VAL . 3.3 t -75.76 106.77 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.618 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.89 -63.0 0.44 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.94 -160.19 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.608 1.846 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 11' ' ' SER . 40.6 m -90.6 -53.11 4.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.574 1.172 . . . . 0.0 109.852 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.611 ' HB2' HG11 ' A' ' 69' ' ' VAL . 4.8 p 50.95 174.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.601 1.188 . . . . 0.0 110.064 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.439 ' HA3' ' C ' ' A' ' 111' ' ' SER . . . 100.81 -53.32 0.89 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' A' ' 113' ' ' ASN . 1.6 mp -73.59 -8.95 58.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 0.793 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.51 ' CB ' ' OG1' ' A' ' 17' ' ' THR . 47.4 t -128.96 89.4 2.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.74 107.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.69 19.05 5.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.431 1.082 . . . . 0.0 111.056 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.51 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 29.1 m -90.12 118.69 29.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 0.799 . . . . 0.0 110.514 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -76.37 119.87 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.892 HG21 HG22 ' A' ' 7' ' ' VAL . 1.0 OUTLIER -127.13 174.46 10.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -113.53 114.65 26.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.803 ' CG1' ' HB1' ' A' ' 5' ' ' ALA . 19.6 t -88.28 90.66 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.91 127.04 44.73 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.506 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -131.77 106.14 0.65 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.03 108.7 19.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 83.06 37.88 12.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.156 . . . . 0.0 111.063 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.729 ' CD1' HD11 ' A' ' 97' ' ' LEU . 0.8 OUTLIER -75.37 -92.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.779 . . . . 0.0 109.371 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.592 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 17.7 mm100 -91.79 19.1 6.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.199 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 76.25 -11.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.37 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.721 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 126.32 2.04 7.09 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.612 HG22 ' H ' ' A' ' 31' ' ' ALA . 2.7 m -57.92 -155.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.529 0.782 . . . . 0.0 110.48 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.612 ' H ' HG22 ' A' ' 30' ' ' THR . . . -134.21 111.76 10.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.582 ' CD1' ' HG3' ' A' ' 27' ' ' GLN . 2.6 m-85 -123.28 168.31 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -91.13 115.84 28.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.24 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.804 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -79.4 141.73 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.411 1.069 . . . . 0.0 109.403 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.626 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 168.82 155.88 10.05 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.45 1.094 . . . . 0.0 110.954 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.739 ' HG2' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.29 98.28 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 0.801 . . . . 0.0 110.342 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.614 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 7.3 t -106.74 154.75 20.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 108.236 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.541 ' HB2' ' H ' ' A' ' 94' ' ' GLN . . . -178.24 168.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.603 1.189 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.558 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 68.9 p-90 -75.44 104.63 6.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 107.921 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.675 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -93.64 -49.41 12.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.429 1.081 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.507 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -86.22 -173.9 4.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.374 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.2 m -52.41 88.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.421 1.076 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 55.65 21.75 29.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.582 HG11 HD13 ' A' ' 77' ' ' LEU . 59.4 t -97.12 117.72 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.397 0.704 . . . . 0.0 109.3 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.572 HD22 H173 ' A' ' 130' ' ' NCZ . 12.3 mt -68.99 99.37 1.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.546 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -111.68 138.39 48.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.533 1.146 . . . . 0.0 109.374 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.622 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 3.7 m -105.38 152.22 23.23 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.609 1.193 . . . . 0.0 108.322 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.69 ' ND2' ' CE2' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -77.95 170.87 14.26 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.643 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.06 -11.73 21.38 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.552 1.817 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.36 16.66 23.71 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.626 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.7 t70 -89.18 6.84 38.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.453 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.643 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -107.71 93.67 4.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.999 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.674 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -150.5 78.69 1.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.065 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 97.5 p -44.58 139.33 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.88 HG21 ' HB ' ' A' ' 65' ' ' THR . 2.7 p -160.18 164.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.422 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.588 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -135.56 154.51 51.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.375 1.047 . . . . 0.0 110.381 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.786 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -100.16 144.93 28.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.613 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -58.11 160.92 4.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.333 1.02 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.49 -36.84 0.41 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -87.81 37.12 0.78 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.613 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.7 40.92 4.12 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.428 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 7.7 m -103.96 96.4 6.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.786 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -100.0 95.7 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -106.87 76.63 1.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.377 1.048 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.88 ' HB ' HG21 ' A' ' 55' ' ' VAL . 7.0 t -107.86 132.42 53.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.599 ' O ' HD22 ' A' ' 67' ' ' LEU . 83.7 p -93.71 133.69 36.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.599 HD22 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -143.09 164.27 30.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 t -89.41 125.49 35.17 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.456 1.097 . . . . 0.0 110.444 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.92 HG13 HD11 ' A' ' 110' ' ' ILE . 2.7 t -88.93 92.04 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.702 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 2.0 mtt180 -107.42 80.56 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.456 ' NH1' ' OD2' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -41.94 -40.94 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.334 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -81.48 142.92 32.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 0.0 110.036 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.702 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER 163.33 -179.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -94.3 103.72 15.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.57 153.0 52.78 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.488 1.117 . . . . 0.0 111.126 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -139.03 124.13 18.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 0.768 . . . . 0.0 110.963 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.749 HD21 ' HB2' ' A' ' 83' ' ' TRP . 7.9 mt -62.76 153.86 31.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.484 ' CE1' ' O6 ' ' A' ' 130' ' ' NCZ . 6.2 t80 -82.66 -25.67 32.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -59.89 -48.47 81.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.394 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.08 -27.54 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 1.1 m -80.18 164.56 23.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.638 0.846 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -116.94 147.88 41.87 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.351 1.032 . . . . 0.0 110.369 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.749 ' HB2' HD21 ' A' ' 77' ' ' LEU . 49.2 t-105 -104.55 -86.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.086 . . . . 0.0 108.105 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.496 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 127.38 -79.27 0.37 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.604 1.19 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.992 ' O ' HG22 ' A' ' 86' ' ' VAL . 3.3 m 68.54 -57.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.388 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.992 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 83.84 -23.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.746 ' H ' HG22 ' A' ' 85' ' ' THR . 0.4 OUTLIER -143.63 104.62 4.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.178 . . . . 0.0 109.315 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 4.1 t -90.64 64.99 5.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 108.392 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.446 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -105.39 -12.68 15.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.413 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.0 m -88.83 -60.02 2.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.434 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.558 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -91.03 104.33 16.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -39.72 126.14 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.621 1.2 . . . . 0.0 109.334 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -89.73 126.94 35.85 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.575 1.172 . . . . 0.0 108.359 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.541 ' H ' ' HB2' ' A' ' 38' ' ' ALA . 23.9 mt-30 -92.38 110.62 22.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.363 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.739 HG13 ' HG2' ' A' ' 36' ' ' GLN . 2.5 t -88.61 108.1 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.475 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -167.82 178.25 41.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.427 1.079 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.928 ' O ' HD12 ' A' ' 97' ' ' LEU . 1.6 pp -107.31 128.14 54.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 0.707 . . . . 0.0 109.17 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.566 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 26.0 t -93.22 168.87 10.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 0.0 109.933 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -85.26 158.13 20.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.404 1.065 . . . . 0.0 109.4 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.77 9.23 25.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.3 -49.69 3.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 123.04 50.23 0.22 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 105' ' ' PRO . 74.4 m-20 -111.08 146.62 36.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.584 0.814 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -31.89 93.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.597 ' HG2' ' C1 ' ' A' ' 130' ' ' NCZ . 18.3 Cg_endo -74.98 127.42 10.68 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 124.61 1.847 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.69 144.64 25.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.381 1.051 . . . . 0.0 110.247 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -143.77 169.88 25.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.618 1.199 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.664 HG23 HG22 ' A' ' 6' ' ' THR . 5.3 p -99.22 143.95 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.595 0.82 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.03 99.33 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.92 HD11 HG13 ' A' ' 69' ' ' VAL . 1.7 tt -66.68 136.09 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.569 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.48 57.51 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.386 1.054 . . . . 0.0 110.096 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -49.91 162.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.05 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.599 ' HA ' HD23 ' A' ' 13' ' ' LEU . 5.8 t30 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.656 1.223 . . . . 0.0 109.359 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.622 ' C9 ' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.943 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . 176.41 -56.13 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.89 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.5 Cg_endo -74.95 67.07 5.95 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.47 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.3 p 55.35 -178.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.809 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -59.04 119.6 7.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.379 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.569 HG22 HG23 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -140.47 147.59 39.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.628 1.205 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.786 ' H ' HG21 ' A' ' 108' ' ' VAL . 5.1 t -74.77 108.21 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.581 1.176 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.621 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -38.93 -62.73 0.7 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.449 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.621 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.98 -156.65 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.602 1.843 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.4 m -92.4 -46.33 7.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 0.0 109.988 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.574 ' HB3' HG11 ' A' ' 7' ' ' VAL . 6.6 p 57.09 -179.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.011 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.41 ' C ' ' HA ' ' A' ' 112' ' ' PHE . . . 77.63 -48.7 2.96 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.441 ' HA ' ' CB ' ' A' ' 113' ' ' ASN . 0.8 OUTLIER -63.02 -18.68 63.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 109.386 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -124.26 98.83 5.94 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.552 1.157 . . . . 0.0 110.115 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -61.3 79.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.51 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 127.24 36.58 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.445 ' CG2' ' CG1' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -92.29 131.72 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 0.729 . . . . 0.0 110.448 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -82.8 117.97 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.552 HG21 HG13 ' A' ' 7' ' ' VAL . 1.2 m -132.79 174.4 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 0.0 109.244 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -116.75 125.55 51.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.586 1.179 . . . . 0.0 109.175 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.809 HG12 ' HB1' ' A' ' 5' ' ' ALA . 59.5 t -97.3 84.9 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.444 1.09 . . . . 0.0 109.157 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.31 127.01 41.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.457 ' HA3' ' N ' ' A' ' 5' ' ' ALA . . . -135.05 121.7 2.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.447 1.092 . . . . 0.0 111.069 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.943 ' HB3' ' HA ' ' A' ' 2' ' ' ALA . . . -106.08 121.2 43.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.266 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 101.93 0.82 51.92 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.394 1.059 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.708 HD22 ' H ' ' A' ' 5' ' ' ALA . 6.2 tp -76.2 -136.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.385 0.697 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.942 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 38.5 mm-40 -55.18 86.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.098 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.25 93.29 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' ALA . . . 67.8 7.02 47.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.435 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.9 -176.54 4.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 0.725 . . . . 0.0 110.434 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.715 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -139.25 119.47 13.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.662 1.226 . . . . 0.0 109.15 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.666 ' HB2' HD12 ' A' ' 97' ' ' LEU . 2.3 m-30 -118.55 175.99 5.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.554 1.159 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 75.7 m-20 -98.31 113.1 24.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.929 HG21 HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -82.02 137.56 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.637 ' O ' H182 ' A' ' 130' ' ' NCZ . . . 172.63 156.38 12.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.427 1.079 . . . . 0.0 110.969 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.746 ' HG2' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.8 102.14 14.27 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.491 0.759 . . . . 0.0 110.395 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.508 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 3.5 t -106.69 148.89 27.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 108.286 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -178.93 167.84 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.473 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 15.1 p-90 -68.87 111.29 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 108.028 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.987 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -95.61 -45.75 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.598 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 1.4 t0 -92.29 -155.36 0.42 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.716 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.6 t -77.55 98.86 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.0 21.51 31.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 42' ' ' THR . 45.3 t -105.97 115.62 48.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.541 0.789 . . . . 0.0 109.432 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.698 HD13 ' H14' ' A' ' 130' ' ' NCZ . 0.2 OUTLIER -69.95 104.12 2.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.987 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -112.52 135.69 52.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.589 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 59.0 m -96.73 155.58 16.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.789 ' ND2' ' CE2' ' A' ' 73' ' ' PHE . 11.7 m-20 -80.31 160.43 67.89 Favored Pre-proline 0 C--N 1.323 -0.587 0 O-C-N 124.499 1.124 . . . . 0.0 109.377 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.611 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.93 -13.36 21.59 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.55 1.816 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.42 14.02 26.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.568 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -88.19 13.21 11.86 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 109.367 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.611 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 4.1 m-85 -105.51 88.74 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.72 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -148.95 83.67 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.393 1.058 . . . . 0.0 110.041 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.7 p -50.9 136.56 22.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.695 HG11 ' CB ' ' A' ' 65' ' ' THR . 25.4 m -142.13 168.55 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.394 1.059 . . . . 0.0 109.236 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.715 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -139.76 141.25 36.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 1.061 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -105.94 131.03 53.74 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -48.25 158.76 0.24 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.592 1.182 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.98 -29.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 58' ' ' ASP . 50.7 t30 -88.64 34.37 0.76 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.553 1.158 . . . . 0.0 109.227 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.96 42.5 6.52 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.56 1.162 . . . . 0.0 110.955 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -104.34 96.8 6.87 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 0.781 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 1.061 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.27 99.71 9.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 p -106.75 81.15 1.53 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.573 1.17 . . . . 0.0 110.101 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.929 HG21 HG21 ' A' ' 34' ' ' VAL . 3.9 t -107.49 121.04 43.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.464 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.514 ' O ' HD22 ' A' ' 67' ' ' LEU . 53.8 p -94.65 134.58 37.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.514 HD22 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -149.36 179.19 8.13 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.4 t -103.82 128.87 51.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.779 ' CG1' HD11 ' A' ' 110' ' ' ILE . 66.0 t -88.54 89.95 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.384 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.645 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 3.1 mtt85 -94.42 73.77 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 21.3 ttp180 -34.22 -37.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 1.4 p -90.27 124.13 34.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.191 . . . . 0.0 109.968 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.789 ' CE2' ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -171.47 168.28 6.5 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.486 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 23.3 tt0 -93.15 94.74 8.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.172 . . . . 0.0 110.245 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.558 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -61.58 158.26 32.42 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 3.5 m-85 -133.73 121.98 22.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.391 0.7 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.792 HD21 ' HB2' ' A' ' 83' ' ' TRP . 12.9 mt -51.74 146.65 7.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -67.45 -30.41 70.13 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.487 1.117 . . . . 0.0 110.932 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -55.9 -55.79 28.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.54 -26.82 0.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.417 1.073 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.7 m -76.75 144.44 39.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.417 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.508 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 8.1 ptt180 -92.6 140.87 29.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.331 1.019 . . . . 0.0 110.301 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.792 ' HB2' HD21 ' A' ' 77' ' ' LEU . 43.5 t-105 -104.51 -90.53 0.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.517 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 145.89 -77.92 0.25 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.811 ' OG1' HG22 ' A' ' 40' ' ' VAL . 3.9 m 68.89 -55.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 0.703 . . . . 0.0 110.379 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 87' ' ' ASP . 90.1 t 73.03 -104.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.241 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.542 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.8 OUTLIER -56.78 92.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.335 1.022 . . . . 0.0 109.23 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.599 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 12.2 t -77.64 58.52 1.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 108.361 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.5 t -104.72 -19.82 13.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.357 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 91' ' ' ALA . 9.5 t -89.33 -55.21 3.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.53 ' N ' HG23 ' A' ' 90' ' ' THR . . . -91.27 119.14 31.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.47 120.44 9.95 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.702 ' O ' HG22 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -91.1 128.64 37.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 108.275 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.531 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 34.7 mt-30 -97.37 110.21 22.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.321 1.013 . . . . 0.0 110.297 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.811 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.1 t -88.92 106.17 16.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 O-C-N 124.58 1.175 . . . . 0.0 109.253 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.453 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . -162.35 174.16 38.72 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.574 1.171 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.837 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -105.92 116.71 32.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.507 0.769 . . . . 0.0 109.223 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.6 p -80.48 166.16 21.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 110.018 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -80.05 159.71 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.07 5.25 20.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.13 -86.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.242 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -177.77 40.81 0.09 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.478 1.111 . . . . 0.0 110.938 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.58 143.39 25.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.352 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -139.26 74.15 0.39 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.634 1.209 . . . . 0.0 110.818 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -26.96 10.41 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.771 . . . . 0.0 111.04 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -84.6 142.82 29.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.177 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.51 112.08 0.26 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 95' ' ' VAL . 4.3 p -70.5 155.56 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.207 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -87.2 104.67 16.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.779 HD11 ' CG1' ' A' ' 69' ' ' VAL . 3.7 tt -65.8 119.97 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.439 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -72.79 59.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.957 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.41 ' HA ' ' C ' ' A' ' 12' ' ' GLY . 12.8 p90 -47.96 150.01 1.24 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.445 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 2.1 t30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.389 1.056 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.698 ' H14' HD13 ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.595 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.86 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . 170.58 -54.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.366 1.041 . . . . 0.0 109.354 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.86 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -75.04 105.42 2.08 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.469 1.773 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.463 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.9 p 57.94 -149.24 0.46 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 110.488 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.839 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -80.6 114.93 19.84 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.42 1.075 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.1 p -140.08 150.24 44.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.628 1.205 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.886 ' HB ' HD13 ' A' ' 110' ' ' ILE . 2.4 t -83.87 132.7 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.401 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.849 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -30.48 -73.41 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.849 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.8 Cg_endo -74.81 -158.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.504 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -146.61 -68.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 110.133 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.441 ' HB2' ' N ' ' A' ' 113' ' ' ASN . 17.0 t -105.2 160.73 14.86 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.501 1.126 . . . . 0.0 110.043 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.77 19.08 57.13 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.63 HD22 HG21 ' A' ' 17' ' ' THR . 3.1 mt -88.75 145.55 25.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 0.725 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -134.76 164.69 26.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.481 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 13.8 p-10 -59.67 88.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.77 23.7 0.95 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.581 1.176 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.63 HG21 HD22 ' A' ' 13' ' ' LEU . 36.2 m -87.54 104.37 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.276 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 t -78.97 124.89 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.446 1.091 . . . . 0.0 109.366 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.764 HG21 HG13 ' A' ' 7' ' ' VAL . 23.5 m -151.82 169.88 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -102.63 135.46 44.22 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 6' ' ' THR . 30.3 t -109.33 103.99 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.61 126.72 35.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.42 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -114.58 82.8 0.32 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.424 1.077 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -84.85 132.88 34.35 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 66.18 14.57 61.83 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.572 1.17 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.026 HD11 HD21 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -83.07 -142.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.988 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 8.2 mm100 -47.32 90.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.62 89.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.225 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 70.21 8.15 61.43 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.624 1.202 . . . . 0.0 111.0 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.584 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.12 177.31 6.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 0.0 110.416 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.832 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -141.83 114.15 8.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.21 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.607 ' CZ ' ' NE2' ' A' ' 27' ' ' GLN . 7.2 m-30 -116.35 -169.58 1.64 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 111.037 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -107.5 111.05 23.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.64 HG23 HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -77.81 139.31 18.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.623 ' O ' H182 ' A' ' 130' ' ' NCZ . . . 170.67 159.57 16.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.403 1.064 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.566 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -94.9 102.35 14.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 110.265 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.557 ' SG ' HD21 ' A' ' 45' ' ' LEU . 1.4 t -106.05 148.63 27.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -179.99 167.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.443 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 41.4 p-90 -76.9 116.33 17.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 108.055 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.684 HG21 ' OG1' ' A' ' 85' ' ' THR . 0.3 OUTLIER -105.51 -43.92 7.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.605 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -83.25 -162.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.37 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 42' ' ' THR . 2.5 m -65.14 80.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.98 22.62 66.89 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.501 1.126 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 39' ' ' TRP . 36.7 t -100.07 114.67 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.779 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.614 HD22 ' C14' ' A' ' 130' ' ' NCZ . 9.3 tt -66.72 101.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -112.63 139.61 48.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.623 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 55.7 m -98.59 157.05 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 108.384 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.453 ' O ' ' HB3' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -83.07 165.51 40.71 Favored Pre-proline 0 C--N 1.323 -0.573 0 O-C-N 124.429 1.08 . . . . 0.0 109.204 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.67 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 17.9 Cg_endo -75.01 -20.71 16.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.39 13.36 35.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.415 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.571 ' OD1' ' C7 ' ' A' ' 130' ' ' NCZ . 0.0 OUTLIER -89.15 6.59 39.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.368 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.67 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.1 m-85 -106.61 84.91 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' SER . 1.3 t -144.48 87.55 1.88 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' SER . 60.3 p -35.23 148.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.931 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.64 HG11 HG23 ' A' ' 34' ' ' VAL . 7.3 p -152.93 156.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.388 1.055 . . . . 0.0 109.239 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.832 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -146.68 134.89 21.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 0.0 110.362 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.988 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -99.93 133.62 44.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -51.85 159.62 0.81 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.9 -28.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 109.248 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.425 ' N ' ' C ' ' A' ' 58' ' ' ASP . 49.0 t30 -88.58 32.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.85 46.23 7.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.427 ' N ' ' HB1' ' A' ' 57' ' ' ALA . 1.6 m -114.54 98.18 6.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 0.766 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.976 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -107.27 84.23 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.3 p -93.54 81.4 4.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.511 ' HB ' HG23 ' A' ' 55' ' ' VAL . 1.8 t -108.78 135.69 49.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.414 1.072 . . . . 0.0 110.454 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 54.1 p -98.16 137.5 36.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.592 1.183 . . . . 0.0 110.046 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.859 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -155.53 168.11 28.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.211 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.859 ' H ' HD13 ' A' ' 67' ' ' LEU . 89.7 m -99.76 140.5 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.36 1.038 . . . . 0.0 110.42 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.945 HG13 ' NH2' ' A' ' 71' ' ' ARG . 57.3 t -89.12 85.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 10.7 mmt180 -88.66 78.93 7.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.162 . . . . 0.0 110.351 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.945 ' NH2' HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -61.57 -23.49 66.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 38.0 t -103.41 125.99 50.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.962 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' HB3' ' CG ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 165.85 -176.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 8.6 tt0 -87.04 115.29 24.32 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.443 1.09 . . . . 0.0 110.355 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.68 166.5 30.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.586 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 2.6 m-85 -132.63 121.59 23.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 0.752 . . . . 0.0 111.049 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.682 HD23 HG23 ' A' ' 81' ' ' THR . 0.3 OUTLIER -43.99 166.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.601 1.188 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.503 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -71.46 -23.5 61.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.947 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.13 -58.79 4.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.412 1.07 . . . . 0.0 109.276 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.28 -25.87 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.682 HG23 HD23 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -69.32 144.21 53.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.472 0.748 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.586 ' HG2' ' CD2' ' A' ' 76' ' ' PHE . 18.0 mtt180 -78.19 129.47 35.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.334 1.021 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.605 ' CE3' ' OD2' ' A' ' 41' ' ' ASP . 60.8 t-105 -92.87 -87.76 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 170.03 -52.81 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.616 1.197 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.684 ' OG1' HG21 ' A' ' 40' ' ' VAL . 17.4 m 66.38 -60.95 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 0.728 . . . . 0.0 110.376 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 72' ' ' SER . 76.2 t 66.21 -86.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -118.56 100.75 7.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 29.4 t -85.0 48.94 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.644 1.215 . . . . 0.0 108.267 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 t -90.42 -23.54 21.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.611 1.194 . . . . 0.0 110.389 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 m -88.11 -39.23 14.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.419 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -91.07 126.92 36.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.075 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.993 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -69.34 103.5 2.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.397 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.459 ' HB2' ' NH1' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -79.55 122.88 27.04 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.522 1.139 . . . . 0.0 108.138 -179.844 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.566 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 21.3 mt-30 -89.92 114.52 26.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.55 HG22 HH22 ' A' ' 71' ' ' ARG . 4.6 t -86.78 108.08 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.151 . . . . 0.0 109.221 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.518 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . -164.42 178.81 39.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.504 1.127 . . . . 0.0 111.032 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.026 HD21 HD11 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -106.04 144.46 32.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 0.794 . . . . 0.0 109.219 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.489 ' HB3' ' C5 ' ' A' ' 130' ' ' NCZ . 27.1 p -105.5 144.33 32.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.071 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -66.19 161.27 22.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.26 14.79 10.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.16 -37.85 8.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.641 1.213 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.03 50.68 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.414 1.071 . . . . 0.0 111.045 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 81.6 m-20 -148.65 154.0 39.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 0.798 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.53 ' HA3' ' C2 ' ' A' ' 130' ' ' NCZ . . . -139.02 69.36 0.48 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.566 1.166 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -37.31 2.06 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.48 1.779 . . . . 0.0 111.063 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.67 141.6 34.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.177 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 149.51 119.57 0.99 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.9 p -104.5 123.29 58.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 0.766 . . . . 0.0 109.395 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.993 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -66.44 87.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.886 HD13 ' HB ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -100.95 159.6 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.532 1.145 . . . . 0.0 109.157 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.0 t 150.4 -53.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.046 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -161.34 174.71 13.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.441 ' N ' ' HB2' ' A' ' 11' ' ' SER . 18.1 t-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.421 1.076 . . . . 0.0 109.265 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.623 H182 ' O ' ' A' ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.498 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -177.2 60.01 0.16 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.899 ' HD2' HG21 ' A' ' 6' ' ' THR . 18.4 Cg_endo -74.92 91.79 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.525 1.802 . . . . 0.0 111.064 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.48 ' HG1' ' C ' ' A' ' 3' ' ' PRO . 30.0 p 46.53 -120.59 1.04 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.13 . . . . 0.0 110.364 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.505 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -87.04 118.6 26.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.899 HG21 ' HD2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -131.7 144.84 51.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.366 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.014 HG13 ' HB ' ' A' ' 19' ' ' VAL . 3.9 t -95.21 123.33 47.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.362 1.039 . . . . 0.0 109.253 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.749 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -59.87 -69.66 0.52 Allowed Pre-proline 0 N--CA 1.451 -0.39 0 O-C-N 124.517 1.136 . . . . 0.0 110.488 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.921 ' HG2' HG12 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -74.98 56.65 4.31 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.455 1.766 . . . . 0.0 111.032 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.445 ' C ' HD23 ' A' ' 13' ' ' LEU . 3.2 t -89.31 4.19 49.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' GLY . 5.0 t -100.56 135.74 41.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.915 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 33.38 50.02 0.51 Allowed Glycine 0 CA--C 1.527 0.843 0 O-C-N 124.648 1.218 . . . . 0.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.664 HD21 ' N ' ' A' ' 111' ' ' SER . 1.3 pp -75.21 -178.24 3.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.357 0.681 . . . . 0.0 109.2 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -134.77 150.6 50.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.38 86.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.475 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 120.17 31.86 1.24 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.117 . . . . 0.0 110.923 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.642 HG22 HG13 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -95.04 132.82 39.5 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.522 0.778 . . . . 0.0 110.417 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.82 108.31 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.586 1.179 . . . . 0.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.014 ' HB ' HG13 ' A' ' 7' ' ' VAL . 33.6 m -114.13 157.0 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.181 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -103.59 114.19 28.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.505 HG12 ' HB1' ' A' ' 5' ' ' ALA . 13.1 t -92.41 98.31 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.48 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.05 112.38 23.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -90.92 94.71 2.0 Allowed Glycine 0 CA--C 1.532 1.133 0 O-C-N 124.406 1.066 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.434 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . . . -97.43 90.5 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 0.812 . . . . 0.0 109.232 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.529 ' O ' ' O ' ' A' ' 26' ' ' LEU . . . 96.71 38.32 4.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.143 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.065 ' CD1' HD21 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -56.98 -141.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.431 0.724 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.56 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 5.5 tp60 -84.91 41.05 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 75.47 -9.69 1.37 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.399 1.062 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.698 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 127.13 2.49 6.5 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.507 1.13 . . . . 0.0 111.102 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.604 HG22 ' H ' ' A' ' 31' ' ' ALA . 3.0 m -58.51 -152.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 110.371 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.604 ' H ' HG22 ' A' ' 30' ' ' THR . . . -133.37 131.85 40.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CD2' ' C ' ' A' ' 98' ' ' SER . 3.1 m-85 -129.21 -166.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 4.3 t70 -128.39 119.9 25.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.935 HG12 ' OD1' ' A' ' 51' ' ' ASP . 97.8 t -77.37 122.46 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' H182 ' A' ' 130' ' ' NCZ . . . -162.51 115.71 0.67 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.481 1.113 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.585 HE21 ' CB ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -73.57 100.78 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.242 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.604 ' HB2' ' C6 ' ' A' ' 130' ' ' NCZ . 0.1 OUTLIER -99.22 152.0 20.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 108.279 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.644 ' HB2' ' H ' ' A' ' 94' ' ' GLN . . . 172.59 163.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.439 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 38.6 p-90 -62.74 82.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.712 ' CG1' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -75.61 -40.38 40.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.088 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.609 ' CG ' ' CE3' ' A' ' 83' ' ' TRP . 6.8 t0 -90.64 -152.72 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.264 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.661 HG22 ' O ' ' A' ' 42' ' ' THR . 1.3 m -77.7 70.0 4.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.596 1.185 . . . . 0.0 110.455 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.23 22.03 61.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.496 HG11 ' HB3' ' A' ' 77' ' ' LEU . 22.4 t -105.4 109.36 27.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -63.59 80.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.712 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -92.68 146.14 23.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.574 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 25.1 m -98.63 154.17 18.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.599 1.187 . . . . 0.0 108.28 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.585 ' CB ' HE21 ' A' ' 36' ' ' GLN . 2.7 m-80 -99.21 124.5 44.83 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.56 ' CD ' ' O ' ' A' ' 74' ' ' GLU . 18.3 Cg_endo -74.97 6.73 3.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.462 1.769 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 1.051 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . . . -99.71 -1.56 37.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.935 ' OD1' HG12 ' A' ' 34' ' ' VAL . 8.5 t70 -114.69 -16.85 11.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.248 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 49' ' ' PRO . 3.3 m-85 -52.45 101.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 111.051 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.69 102.63 2.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 30.4 p -49.57 148.4 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.411 ' CG1' HG23 ' A' ' 34' ' ' VAL . 5.6 p -155.6 166.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 30' ' ' THR . 0.9 OUTLIER -144.27 155.3 43.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.432 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.802 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -105.48 146.51 29.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.407 1.067 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -61.74 161.12 10.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.205 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -39.02 -36.38 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -88.46 36.72 0.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.14 42.67 5.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 2.6 m -106.21 96.42 6.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.865 ' HB3' HD13 ' A' ' 26' ' ' LEU . . . -102.3 74.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 p -92.07 75.07 5.5 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.404 ' CB ' HG21 ' A' ' 55' ' ' VAL . 83.9 m -109.85 143.46 39.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.482 ' O ' HD22 ' A' ' 67' ' ' LEU . 20.4 p -109.86 134.39 52.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.076 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -141.72 -179.42 6.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.2 t -105.48 122.62 46.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.684 ' O ' HG13 ' A' ' 69' ' ' VAL . 8.2 p -88.26 92.66 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 109.229 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.475 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 13.4 mmt180 -88.57 71.0 8.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.409 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 7.4 ttp180 -41.23 -32.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 56.8 m -93.94 123.72 37.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.096 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 1.051 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 0.6 OUTLIER 174.49 179.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' ' 49' ' ' PRO . 2.5 tp10 -85.55 111.45 20.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.25 153.09 33.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.15 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -128.6 126.49 40.36 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 0.796 . . . . 0.0 111.013 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.963 HD21 ' HB2' ' A' ' 83' ' ' TRP . 3.9 mt -64.69 140.77 58.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.202 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 78' ' ' PHE . 3.9 p90 -70.17 -27.3 64.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.161 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -54.53 -50.97 66.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.33 -27.2 0.25 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.387 1.055 . . . . 0.0 111.032 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.3 m -85.46 164.35 17.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.407 0.71 . . . . 0.0 110.369 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 35.5 ptt180 -114.31 145.59 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.963 ' HB2' HD21 ' A' ' 77' ' ' LEU . 59.8 t-105 -104.79 -90.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 108.04 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 143.59 -68.21 0.43 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.741 ' C ' HG23 ' A' ' 86' ' ' VAL . 1.6 m 67.72 -59.63 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.749 . . . . 0.0 110.353 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.741 HG23 ' C ' ' A' ' 85' ' ' THR . 2.6 t 84.7 -46.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -130.3 106.14 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 48.5 t -90.81 42.37 1.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.567 1.167 . . . . 0.0 108.32 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 66.6 m -87.4 -17.62 31.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.5 m -87.97 -52.07 5.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.065 . . . . 0.0 110.477 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.416 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -89.15 129.57 35.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.396 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.417 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -61.88 114.86 3.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.586 1.179 . . . . 0.0 109.228 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.506 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -89.57 126.73 35.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.283 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.644 ' H ' ' HB2' ' A' ' 38' ' ' ALA . 39.0 mt-30 -96.84 110.79 23.21 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.535 HG23 ' HB ' ' A' ' 110' ' ' ILE . 39.8 t -89.36 121.69 39.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.69 169.76 40.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.065 HD21 ' CD1' ' A' ' 26' ' ' LEU . 2.0 pp -106.65 125.32 50.85 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 0.792 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.537 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 87.7 p -100.02 166.35 11.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -79.11 160.73 26.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.643 1.214 . . . . 0.0 109.222 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.49 13.31 12.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.7 -61.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 154.08 49.85 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.566 1.166 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -139.68 148.73 42.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -118.64 110.34 1.91 Allowed Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.503 1.127 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.358 1.031 0 O-C-N 124.619 1.852 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.12 139.91 35.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.445 1.09 . . . . 0.0 110.331 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -115.59 167.74 12.47 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.461 1.1 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.695 HG13 HD12 ' A' ' 110' ' ' ILE . 1.8 p -104.16 121.98 56.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 109.276 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.7 93.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.646 1.216 . . . . 0.0 109.419 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.762 HD11 ' CB ' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -81.33 137.73 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.372 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.664 ' N ' HD21 ' A' ' 13' ' ' LEU . 3.2 p 149.43 -78.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.483 1.115 . . . . 0.0 110.069 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 92.8 t80 -154.22 122.1 5.94 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.685 1.24 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.604 ' C6 ' ' HB2' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.572 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 1' ' ' ALA . . . 171.42 76.77 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 119.47 5.65 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.424 1.749 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 2.9 p 47.0 -142.54 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.639 1.212 . . . . 0.0 110.434 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.647 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . . . -84.34 124.51 31.35 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.611 1.194 . . . . 0.0 109.316 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -144.54 145.19 31.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.958 HG13 ' HB ' ' A' ' 19' ' ' VAL . 2.3 t -88.37 120.33 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.769 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -54.22 -70.42 0.29 Allowed Pre-proline 0 N--CA 1.451 -0.376 0 O-C-N 124.414 1.072 . . . . 0.0 110.463 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.904 ' HG2' HG12 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.05 56.12 4.18 Favored 'Trans proline' 0 C--N 1.362 1.251 0 O-C-N 124.402 1.738 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 111' ' ' SER . 83.5 p -89.17 23.11 2.56 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.389 1.056 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -112.29 128.34 56.24 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.643 1.214 . . . . 0.0 110.099 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' SER . . . 36.45 50.59 1.34 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.031 HD13 HG23 ' A' ' 110' ' ' ILE . 4.7 mp -53.53 -175.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 0.717 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.7 t -143.0 152.38 41.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.95 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -52.84 87.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.628 ' HA2' HG22 ' A' ' 68' ' ' THR . . . 101.41 46.63 1.65 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.482 HG22 HG13 ' A' ' 19' ' ' VAL . 1.1 m -92.12 127.06 37.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.453 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.431 ' H ' HG23 ' A' ' 18' ' ' VAL . 1.5 t -74.33 111.63 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.958 ' HB ' HG13 ' A' ' 7' ' ' VAL . 31.5 m -120.07 162.15 18.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -113.82 115.17 27.34 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.419 1.074 . . . . 0.0 109.209 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.59 HG12 ' HB1' ' A' ' 5' ' ' ALA . 5.4 t -90.77 93.87 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.376 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -88.17 121.03 30.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -104.5 122.04 7.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.578 1.174 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -119.45 100.94 7.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.63 24.97 26.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.791 ' CD1' HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -90.27 -146.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.983 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 17.5 mm-40 -45.23 91.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -61.68 85.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.597 1.186 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 77.9 6.21 87.12 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.582 1.177 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.548 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.74 -176.95 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.667 0.863 . . . . 0.0 110.44 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.86 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -142.68 122.67 13.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CE1' ' OE1' ' A' ' 27' ' ' GLN . 3.8 m-30 -118.13 -178.14 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.049 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.512 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 23.9 t0 -98.14 112.9 24.7 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.913 HG23 HD12 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -85.66 141.81 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.615 1.197 . . . . 0.0 109.287 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.675 ' O ' H182 ' A' ' 130' ' ' NCZ . . . 162.86 156.16 8.41 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.471 1.107 . . . . 0.0 111.053 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.891 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -92.5 100.46 13.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 0.0 110.352 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.485 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 1.8 t -105.58 153.47 21.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.594 1.184 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 176.62 166.17 0.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.369 1.043 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.743 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 34.0 p-90 -76.66 108.84 9.95 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.682 HG21 HG23 ' A' ' 85' ' ' THR . 0.4 OUTLIER -97.99 -45.28 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.611 ' OD2' ' CZ2' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -86.41 -162.78 0.8 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.7 m -61.32 79.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.396 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 61.91 24.76 65.1 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.61 1.194 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.85 HG11 HD22 ' A' ' 77' ' ' LEU . 84.6 t -97.56 108.15 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.424 0.72 . . . . 0.0 109.246 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.613 HD22 H173 ' A' ' 130' ' ' NCZ . 0.1 OUTLIER -65.5 90.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.533 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -103.75 146.64 28.32 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.56 1.163 . . . . 0.0 109.224 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.648 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 8.4 m -105.73 153.58 21.66 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.456 1.097 . . . . 0.0 108.416 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.587 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 4.4 m-20 -76.61 167.91 32.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.608 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -74.98 -16.71 20.1 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.542 1.811 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.481 ' CB ' ' HD2' ' A' ' 70' ' ' ARG . . . -105.01 12.64 32.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.595 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -90.46 10.92 23.3 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.627 1.205 . . . . 0.0 109.262 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -107.65 84.18 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.94 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.641 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -150.16 86.9 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.8 p -56.38 134.23 53.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.048 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.683 HG11 ' OG1' ' A' ' 65' ' ' THR . 35.8 m -129.26 168.54 22.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.86 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -139.3 138.02 36.34 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.456 1.098 . . . . 0.0 110.439 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.999 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -101.34 133.55 45.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.583 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -53.88 158.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.18 -29.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.244 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.438 ' N ' ' C ' ' A' ' 58' ' ' ASP . 14.9 t-20 -88.82 34.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.91 40.91 5.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -99.2 93.47 5.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.413 0.714 . . . . 0.0 110.027 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.999 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -100.01 84.66 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 p -97.28 79.31 2.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.872 HG21 HG21 ' A' ' 34' ' ' VAL . 6.3 t -109.05 131.42 55.09 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.4 p -109.47 136.59 48.64 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.394 1.059 . . . . 0.0 110.04 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.466 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -150.38 175.15 12.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.228 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.628 HG22 ' HA2' ' A' ' 16' ' ' GLY . 5.3 m -102.48 135.95 43.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.443 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.554 HG11 HG21 ' A' ' 110' ' ' ILE . 43.0 t -89.29 87.9 2.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.664 1.227 . . . . 0.0 109.385 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.583 ' HG3' HG22 ' A' ' 68' ' ' THR . 13.5 mtt-85 -93.79 101.83 13.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 71' ' ' ARG . 4.2 ttm-85 -78.49 -26.83 46.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.613 1.196 . . . . 0.0 110.277 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -99.44 113.78 26.33 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.454 1.096 . . . . 0.0 109.993 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 172.1 -175.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' ' 49' ' ' PRO . 1.2 tt0 -91.15 123.48 34.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 110.227 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.407 ' HA3' ' OG1' ' A' ' 85' ' ' THR . . . -103.94 164.37 15.19 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.501 1.126 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 46.2 m-85 -121.28 135.76 55.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.582 0.813 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.85 HD22 HG11 ' A' ' 44' ' ' VAL . 36.5 mt -47.6 174.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.614 ' HD1' HG13 ' A' ' 44' ' ' VAL . 7.4 p90 -80.31 -25.21 39.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.53 -55.81 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.22 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 165.64 -28.95 0.2 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.364 1.04 . . . . 0.0 111.048 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.708 ' HB ' HD12 ' A' ' 77' ' ' LEU . 19.1 m -66.31 133.47 50.62 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.426 0.721 . . . . 0.0 110.271 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -68.05 135.61 52.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.611 ' CZ2' ' OD2' ' A' ' 41' ' ' ASP . 35.6 t-105 -102.57 -91.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 177.15 -47.77 0.1 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.403 1.064 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.682 HG23 HG21 ' A' ' 40' ' ' VAL . 1.9 m 65.38 -66.2 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 0.805 . . . . 0.0 110.406 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.594 HG12 ' N ' ' A' ' 87' ' ' ASP . 77.7 t 64.48 -102.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.594 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.9 OUTLIER -96.41 105.03 17.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 39.3 t -89.75 39.64 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 108.385 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.9 t -88.83 -21.45 23.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.387 1.054 . . . . 0.0 110.425 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.9 m -88.43 -47.95 7.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.613 1.196 . . . . 0.0 110.416 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.743 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -90.02 106.65 18.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.405 ' HA ' ' CE2' ' A' ' 112' ' ' PHE . . . -49.25 116.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.47 126.57 33.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 108.363 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.557 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 33.6 mt-30 -98.98 110.54 23.14 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.055 ' O ' HG12 ' A' ' 108' ' ' VAL . 36.8 t -87.42 114.85 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.332 1.02 . . . . 0.0 109.31 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.502 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . -167.23 174.33 42.44 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.913 HD12 HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -108.51 113.05 25.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.217 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.4 p -83.57 155.84 23.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.964 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -42.79 163.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.149 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.25 -21.49 65.22 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.392 1.057 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.16 -8.79 52.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.227 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.84 28.49 50.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.665 1.228 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.477 ' CB ' ' H16' ' A' ' 130' ' ' NCZ . 12.6 p30 -146.25 156.04 43.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.799 . . . . 0.0 109.229 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.77 148.75 4.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.57 1.169 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.1 -12.6 21.33 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.479 1.778 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.458 ' O ' H181 ' A' ' 130' ' ' NCZ . 0.3 OUTLIER -46.63 109.8 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.329 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.54 137.26 3.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.583 1.177 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 1.055 HG12 ' O ' ' A' ' 95' ' ' VAL . 12.0 p -103.94 127.23 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.9 93.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 1.031 HG23 HD13 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -70.1 126.19 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.394 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 10' ' ' SER . 12.1 m -66.38 62.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.112 . . . . 0.0 109.93 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 110' ' ' ILE . 8.1 p90 -37.59 158.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.9 p30 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.675 H182 ' O ' ' A' ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 1.019 ' HB1' ' CB ' ' A' ' 24' ' ' ALA . . . 179.41 65.88 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.742 ' HG2' HG21 ' A' ' 6' ' ' THR . 17.8 Cg_endo -75.22 77.88 3.09 Favored 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.412 1.743 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.491 ' HB ' HD22 ' A' ' 26' ' ' LEU . 4.4 p 51.58 -139.83 0.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.577 1.173 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.669 ' HB2' HD21 ' A' ' 97' ' ' LEU . . . -75.22 115.75 15.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.742 HG21 ' HG2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -142.24 142.86 32.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.37 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.953 HG12 ' CG2' ' A' ' 19' ' ' VAL . 1.2 t -79.18 143.31 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.484 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.53 -56.02 1.38 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.426 1.079 . . . . 0.0 110.397 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.881 ' CD ' HG21 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.88 -171.88 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.382 1.728 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.9 p -151.56 -60.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.537 ' CB ' ' HA ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -127.65 159.31 35.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.42 28.36 67.91 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.424 1.078 . . . . 0.0 110.955 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.867 HD22 HG11 ' A' ' 69' ' ' VAL . 0.8 OUTLIER -78.41 174.98 10.71 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.411 0.712 . . . . 0.0 109.375 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.863 ' N ' HD12 ' A' ' 13' ' ' LEU . 3.7 t -128.31 153.24 47.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.404 1.065 . . . . 0.0 109.999 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.5 56.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 163.17 31.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.414 ' O ' ' HB ' ' A' ' 69' ' ' VAL . 8.6 m -91.74 102.89 15.51 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.469 0.746 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.511 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.6 p -93.48 128.15 45.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.404 1.065 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.953 ' CG2' HG12 ' A' ' 7' ' ' VAL . 33.2 m -152.35 -161.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.575 1.172 . . . . 0.0 109.369 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 5.8 pttm -113.96 140.74 48.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.689 HG13 ' C ' ' A' ' 6' ' ' THR . 2.5 t -111.64 107.22 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.231 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.24 129.26 35.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.596 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -108.31 100.01 1.4 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 1.019 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . . . -94.0 104.74 16.77 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.552 0.795 . . . . 0.0 109.36 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.7 32.62 14.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.604 1.19 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.609 HD12 ' H ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -80.68 -141.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.736 . . . . 0.0 109.227 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.981 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 4.3 mm-40 -76.9 73.06 3.51 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.602 1.189 . . . . 0.0 110.407 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . -58.83 87.14 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 115.71 -30.59 6.55 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.487 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -92.68 -171.04 2.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 110.405 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.856 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -150.49 140.99 22.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.401 1.063 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.89 ' HB2' HD12 ' A' ' 97' ' ' LEU . 9.4 m-30 -123.68 -169.82 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 111.013 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.517 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 5.7 t0 -123.52 118.9 28.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 51' ' ' ASP . 2.5 t -71.37 129.8 35.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.621 1.201 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.529 ' CA ' ' OD1' ' A' ' 51' ' ' ASP . . . -172.7 114.38 0.52 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.429 1.081 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.731 ' HG2' HG22 ' A' ' 95' ' ' VAL . 2.6 mt-30 -55.34 88.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.651 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -98.68 147.33 24.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 166.9 172.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.372 1.045 . . . . 0.0 109.216 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.425 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 9.1 p90 -69.63 86.33 0.47 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.886 HG22 HG21 ' A' ' 85' ' ' THR . 0.4 OUTLIER -86.33 -49.7 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.206 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.538 ' HB2' ' CG ' ' A' ' 83' ' ' TRP . 1.2 t70 -91.78 170.87 9.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.186 . . . . 0.0 109.219 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.526 ' N ' ' CG ' ' A' ' 41' ' ' ASP . 27.9 m -33.66 94.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.597 1.186 . . . . 0.0 110.36 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 44.12 25.66 0.74 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 111.065 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.735 HG11 HD22 ' A' ' 77' ' ' LEU . 2.6 t -103.8 121.82 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.543 0.79 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.9 OUTLIER -74.97 88.12 2.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.688 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -96.93 146.86 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 59.3 m -102.89 155.18 18.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.52 ' CB ' HE21 ' A' ' 36' ' ' GLN . 9.7 m-80 -92.49 110.64 46.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.381 1.051 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.664 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 17.9 Cg_endo -74.98 7.54 2.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.591 1.838 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.741 ' HB1' ' CE2' ' A' ' 73' ' ' PHE . . . -105.95 -4.08 21.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.234 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.67 ' HB2' ' NE2' ' A' ' 36' ' ' GLN . 10.5 t0 -113.83 2.6 15.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.664 ' CD2' ' HA ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -58.25 107.85 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.415 ' CB ' HD21 ' A' ' 67' ' ' LEU . 38.9 t -153.62 96.71 2.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 12.4 p -60.02 132.4 53.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.891 HG21 ' HB ' ' A' ' 65' ' ' THR . 1.7 p -147.24 161.2 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.856 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -122.03 158.72 28.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.344 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.981 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -105.48 137.76 42.79 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -67.74 156.47 36.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.415 1.072 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.06 -34.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.405 1.065 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -87.42 36.99 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 39.13 41.5 1.42 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -102.72 101.47 11.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 0.0 109.991 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.596 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . . . -105.87 78.26 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.6 p -90.35 78.08 6.5 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.4 1.063 . . . . 0.0 109.915 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.891 ' HB ' HG21 ' A' ' 55' ' ' VAL . 15.0 t -108.33 129.14 55.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.548 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.463 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 19.6 p -98.17 147.93 24.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -158.58 -178.68 7.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.207 -179.913 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 9.6 t -106.26 128.92 54.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.867 HG11 HD22 ' A' ' 13' ' ' LEU . 60.0 t -88.54 88.41 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -107.98 79.37 1.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.662 ' HD2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -47.72 -25.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.36 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 10.2 p -92.32 112.21 24.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.741 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -179.61 162.14 1.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.594 1.184 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.533 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 5.9 tt0 -82.81 113.59 20.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.39 163.72 37.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.403 1.064 . . . . 0.0 111.036 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.565 ' CZ ' ' HG2' ' A' ' 82' ' ' ARG . 2.2 m-85 -119.71 121.73 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.724 . . . . 0.0 110.997 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.735 HD22 HG11 ' A' ' 44' ' ' VAL . 39.4 mt -41.67 161.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -75.9 -27.7 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 111.041 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -66.38 -54.8 20.21 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.06 -28.18 0.22 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.66 ' HB ' HD12 ' A' ' 77' ' ' LEU . 7.4 m -67.68 157.81 33.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 0.0 110.349 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -90.46 135.44 33.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.63 1.206 . . . . 0.0 110.281 179.939 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.538 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 65.7 t-105 -101.93 -89.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.533 ' HA2' ' CG ' ' A' ' 74' ' ' GLU . . . 144.21 -81.15 0.22 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.607 1.192 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.886 HG21 HG22 ' A' ' 40' ' ' VAL . 2.0 m 67.54 -57.4 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 72' ' ' SER . 59.0 t 72.1 -103.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.461 ' N ' HG12 ' A' ' 86' ' ' VAL . 9.7 t70 -64.51 96.6 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.059 . . . . 0.0 109.35 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 16.1 t -87.83 46.6 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 108.375 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 74.8 m -85.92 -22.19 27.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.496 1.122 . . . . 0.0 110.415 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.1 m -89.47 -44.45 10.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.627 1.205 . . . . 0.0 110.367 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.428 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -88.02 142.75 27.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.748 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -91.0 87.67 6.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.409 1.068 . . . . 0.0 109.233 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.484 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 63.3 m -67.84 133.89 49.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 108.394 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.443 ' H ' ' HB2' ' A' ' 38' ' ' ALA . 33.0 mt-30 -97.85 115.61 28.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.731 HG22 ' HG2' ' A' ' 36' ' ' GLN . 1.9 t -88.34 125.73 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.398 1.061 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -178.55 174.46 46.67 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.89 HD12 ' HB2' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -105.69 129.6 53.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 0.719 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.535 ' OG ' ' C8 ' ' A' ' 130' ' ' NCZ . 84.4 p -104.79 165.06 11.33 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.498 1.123 . . . . 0.0 110.095 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.564 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -86.05 158.91 19.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.393 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.79 13.1 15.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 109.32 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.86 -47.28 3.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.42 51.61 0.28 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 105' ' ' PRO . 82.2 m-20 -113.87 146.08 40.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 0.761 . . . . 0.0 109.364 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -31.66 93.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.817 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.598 ' HG2' ' C1 ' ' A' ' 130' ' ' NCZ . 18.2 Cg_endo -75.06 151.17 38.92 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.488 1.783 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.478 ' HG2' HG21 ' A' ' 4' ' ' THR . 0.9 OUTLIER -91.25 150.36 21.36 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 179.926 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -176.78 138.65 4.09 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 110' ' ' ILE . 2.2 p -105.69 120.58 56.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.587 0.816 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.748 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -61.61 82.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.392 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.618 HG23 ' CD2' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -84.78 158.29 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.614 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.5 t 150.0 -70.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.055 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.537 ' HA ' ' CB ' ' A' ' 11' ' ' SER . 84.3 t80 -169.99 164.34 9.5 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.425 ' N ' ' HB2' ' A' ' 11' ' ' SER . 59.1 t-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.351 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.598 ' C1 ' ' HG2' ' A' ' 105' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.984 ' HB1' ' O ' ' A' ' 24' ' ' ALA . . . -87.78 114.1 57.52 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.6 ' C ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.98 -2.9 13.15 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.563 1.823 . . . . 0.0 111.032 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.6 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.2 p 61.76 -163.89 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.61 1.194 . . . . 0.0 110.431 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.606 ' HB2' HD23 ' A' ' 26' ' ' LEU . . . -62.42 112.79 2.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.212 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.573 HG22 ' CG2' ' A' ' 108' ' ' VAL . 0.9 OUTLIER -140.48 146.11 37.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.827 HG13 ' HB ' ' A' ' 19' ' ' VAL . 1.5 t -88.01 121.75 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.744 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -55.95 -68.8 0.49 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 110.43 -179.921 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.928 ' HG2' HG12 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.93 59.88 5.24 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.581 1.832 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.55 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 85.0 p -88.3 21.56 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -107.94 137.7 45.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.586 1.179 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 37.57 48.18 1.72 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.421 1.075 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.831 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -42.99 163.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 0.0 109.347 179.922 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -139.38 142.92 37.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.674 1.234 . . . . 0.0 109.955 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -53.68 90.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.482 ' HA2' ' CG2' ' A' ' 68' ' ' THR . . . 104.43 38.75 2.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.585 1.178 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.613 HG22 HG13 ' A' ' 19' ' ' VAL . 1.0 OUTLIER -93.13 124.35 37.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 110.332 179.896 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -74.64 113.64 13.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.928 HG12 ' HG2' ' A' ' 9' ' ' PRO . 5.5 m -118.92 154.9 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.304 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 111.59 23.99 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.616 1.197 . . . . 0.0 109.218 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.738 HG22 HG23 ' A' ' 7' ' ' VAL . 95.2 t -89.17 92.31 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -88.66 116.55 26.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.457 ' HA2' ' N ' ' A' ' 5' ' ' ALA . . . -101.55 75.5 0.36 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.096 . . . . 0.0 111.062 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.984 ' O ' ' HB1' ' A' ' 2' ' ' ALA . . . -78.06 104.75 8.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.38 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 79.16 35.62 29.81 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.621 1.201 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.804 HD21 HD21 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -61.5 -121.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.584 0.814 . . . . 0.0 109.214 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.718 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -85.04 33.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 76.08 -13.59 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.636 1.21 . . . . 0.0 109.359 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.784 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 132.31 3.97 3.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.54 HG22 ' H ' ' A' ' 31' ' ' ALA . 2.0 m -58.01 -154.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.417 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.66 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -135.7 142.06 45.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.405 1.066 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.607 ' CD1' ' HA ' ' A' ' 99' ' ' ASP . 6.1 m-30 -151.04 169.9 20.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -91.02 111.22 22.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.943 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.673 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -79.06 136.86 22.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 109.226 -179.891 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.609 ' O ' H182 ' A' ' 130' ' ' NCZ . . . 178.03 160.4 24.39 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.608 1.192 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.829 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -96.41 101.51 13.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 0.796 . . . . 0.0 110.22 -179.932 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.562 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 3.5 t -107.89 151.64 25.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 108.334 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 175.47 167.54 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 109.309 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -68.24 108.18 3.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.632 1.207 . . . . 0.0 108.01 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.986 HG22 ' OG1' ' A' ' 85' ' ' THR . 0.4 OUTLIER -93.32 -46.0 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.362 179.949 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.609 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -89.7 -161.02 0.74 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.9 m -70.06 84.38 0.52 Allowed 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 124.378 1.049 . . . . 0.0 110.435 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.71 20.71 70.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.461 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 98.8 t -101.2 110.37 27.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.539 0.788 . . . . 0.0 109.228 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.505 HD22 ' H13' ' A' ' 130' ' ' NCZ . 0.3 OUTLIER -62.06 99.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.976 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -111.32 135.5 51.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.58 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 48.7 m -97.11 156.02 16.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 108.291 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.779 ' ND2' ' CE2' ' A' ' 73' ' ' PHE . 14.4 m-20 -79.25 161.64 67.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.403 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.552 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.1 -13.85 21.08 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.6 1.842 . . . . 0.0 110.942 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.62 18.73 20.55 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.591 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.02 9.26 20.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.552 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -104.38 88.23 2.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.628 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -148.33 83.73 1.49 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.629 1.206 . . . . 0.0 109.92 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.87 143.83 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.96 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.693 HG21 ' CB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -156.22 164.04 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 O-C-N 124.354 1.034 . . . . 0.0 109.364 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.66 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -145.41 153.65 41.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.424 1.077 . . . . 0.0 110.438 179.926 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.784 ' HB3' ' HA2' ' A' ' 29' ' ' GLY . . . -101.53 145.1 29.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.629 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER -59.02 160.96 5.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.7 -33.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.362 1.039 . . . . 0.0 109.108 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -88.39 34.04 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.197 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.629 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.82 45.11 7.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.156 . . . . 0.0 111.065 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 17.2 m -113.98 97.47 6.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 0.742 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.78 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -102.66 82.43 2.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.4 p -91.99 79.13 5.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.574 1.171 . . . . 0.0 110.043 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.693 ' CB ' HG21 ' A' ' 55' ' ' VAL . 2.3 t -107.36 142.68 36.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 110.39 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.8 p -100.21 133.18 44.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.687 1.242 . . . . 0.0 109.878 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.45 166.63 22.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.746 HG22 ' HG2' ' A' ' 70' ' ' ARG . 2.3 m -105.8 133.18 50.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.386 1.054 . . . . 0.0 110.439 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.603 HG23 HG22 ' A' ' 19' ' ' VAL . 22.7 t -88.79 84.88 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.746 ' HG2' HG22 ' A' ' 68' ' ' THR . 5.7 mmt85 -88.09 68.33 9.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.609 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 5.6 ttm180 -37.19 -30.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 21.8 p -93.88 122.25 36.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.927 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.779 ' CE2' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 178.01 168.12 0.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.429 1.08 . . . . 0.0 110.971 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -93.05 110.23 21.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.418 1.074 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.1 163.63 54.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.585 1.178 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -138.51 117.27 12.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.507 0.769 . . . . 0.0 110.984 -179.934 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.645 HD21 ' HB2' ' A' ' 83' ' ' TRP . 18.2 mt -52.78 163.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 79' ' ' ASP . 2.7 p90 -77.64 -34.29 53.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.422 1.076 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 78' ' ' PHE . 2.5 t0 -53.52 -50.56 65.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.548 1.155 . . . . 0.0 109.403 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.24 -22.1 0.76 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.2 m -77.95 138.62 38.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 0.76 . . . . 0.0 110.347 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 9.1 ptp180 -83.85 142.97 30.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.636 1.21 . . . . 0.0 110.244 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.645 ' HB2' HD21 ' A' ' 77' ' ' LEU . 76.0 t-105 -104.99 -90.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.485 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 150.06 -75.13 0.26 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.394 1.058 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.986 ' OG1' HG22 ' A' ' 40' ' ' VAL . 1.2 m 68.15 -57.25 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.648 0.852 . . . . 0.0 110.418 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 72' ' ' SER . 96.1 t 72.67 -102.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.503 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -73.16 101.58 3.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 0.9 OUTLIER -83.56 72.0 10.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 108.3 -179.937 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.5 m -105.55 -27.46 11.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 110.341 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.8 m -88.48 -43.27 11.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.313 1.008 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.442 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -87.05 140.51 29.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.37 90.07 7.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.066 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 29.3 m -65.97 132.07 47.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 108.307 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 87.8 mt-30 -104.13 116.99 33.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.829 HG22 ' HG2' ' A' ' 36' ' ' GLN . 13.6 t -88.36 116.2 29.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.447 1.092 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.518 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . -169.53 172.75 43.7 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.471 1.107 . . . . 0.0 111.091 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.804 HD21 HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -107.0 134.91 49.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.747 . . . . 0.0 109.351 179.883 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.3 p -104.66 167.54 9.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.607 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -64.28 161.53 16.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.55 -3.88 48.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.348 1.03 . . . . 0.0 109.325 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.25 -14.11 58.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.62 28.38 8.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.569 1.168 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.437 ' HA ' ' H16' ' A' ' 130' ' ' NCZ . 26.4 p-10 -150.03 160.63 43.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 0.729 . . . . 0.0 109.225 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 146.96 111.69 0.68 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.531 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.2 Cg_endo -74.98 -5.42 16.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.1 120.52 6.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 110.277 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -179.15 136.79 2.94 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.807 HG11 ' H ' ' A' ' 7' ' ' VAL . 8.2 p -103.92 118.31 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.415 0.715 . . . . 0.0 109.365 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.88 92.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.744 HG13 HG11 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -88.95 136.59 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.612 1.195 . . . . 0.0 109.247 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 4.1 t 145.33 -66.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.437 1.086 . . . . 0.0 110.056 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.545 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.1 OUTLIER 25.64 88.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.8 t30 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.372 179.921 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.609 H182 ' O ' ' A' ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.13 72.95 1.23 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.191 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.723 ' C ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.06 2.89 6.15 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.542 1.812 . . . . 0.0 111.039 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.723 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER 66.68 -146.33 0.17 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.812 ' HB1' HD11 ' A' ' 97' ' ' LEU . . . -76.52 111.01 11.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.586 1.179 . . . . 0.0 109.445 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.49 HG22 ' CG2' ' A' ' 108' ' ' VAL . 1.8 p -149.37 150.74 32.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.949 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.1 t -74.2 131.24 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.474 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.24 -55.27 1.4 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.949 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.14 -159.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.403 1.739 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.58 -44.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 109.989 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.43 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 45.1 m -78.81 78.99 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.597 ' CA ' HG11 ' A' ' 69' ' ' VAL . . . -58.58 -11.62 10.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.608 1.193 . . . . 0.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 111' ' ' SER . 1.3 pp -68.95 59.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -136.61 119.69 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.946 -179.892 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 14' ' ' SER . 6.0 p-10 -34.97 94.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 42.69 69.21 0.64 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.418 1.074 . . . . 0.0 111.016 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.508 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -74.29 123.22 24.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.358 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -94.46 120.15 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.382 1.051 . . . . 0.0 109.324 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.9 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -148.17 -170.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.467 1.105 . . . . 0.0 109.185 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 42.2 mttt -121.48 131.28 54.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.51 HG22 ' HA ' ' A' ' 7' ' ' VAL . 71.6 t -97.61 106.35 18.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -87.31 135.56 33.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -115.39 73.18 0.25 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.08 122.39 25.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 0.0 109.215 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 80.33 23.59 60.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.522 ' CD2' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -84.97 -146.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.451 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 2.4 mt-30 -83.67 80.96 8.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.503 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . -61.13 130.09 44.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.365 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.05 -22.89 16.36 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.546 1.153 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.449 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -90.59 -174.0 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 0.0 110.452 179.932 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.945 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -160.34 150.3 18.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -149.89 174.7 12.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 111.07 179.934 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -94.87 119.8 34.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.233 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.823 HG23 HG21 ' A' ' 55' ' ' VAL . 1.4 t -74.27 134.18 30.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.693 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . -179.48 147.88 7.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.666 1.229 . . . . 0.0 111.012 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.581 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -93.15 108.53 20.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 110.353 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.544 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 0.7 OUTLIER -106.39 154.56 20.62 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.58 1.175 . . . . 0.0 108.326 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 92' ' ' ALA . . . 177.68 162.95 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.562 ' CE3' ' O ' ' A' ' 39' ' ' TRP . 65.0 p-90 -67.11 106.47 1.99 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.059 HG22 ' OG1' ' A' ' 85' ' ' THR . 0.3 OUTLIER -89.11 -42.39 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.607 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 4.8 t0 -82.51 -153.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 42' ' ' THR . 7.5 t -80.79 54.74 2.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.49 1.119 . . . . 0.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.1 -0.82 40.94 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.426 1.079 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.519 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 18.0 t -79.62 115.25 21.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.376 0.692 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.472 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -63.17 99.46 0.18 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.311 1.007 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.964 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -109.61 145.25 36.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.612 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 83.0 m -103.77 159.13 15.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 0.0 108.304 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.7 HD22 ' N ' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -84.77 160.22 56.24 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.559 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 18.4 Cg_endo -74.93 -16.79 20.19 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.534 1.807 . . . . 0.0 111.021 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.53 17.6 23.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.576 1.173 . . . . 0.0 109.239 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.693 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.36 13.12 10.44 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.376 1.048 . . . . 0.0 109.336 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CD2' ' O ' ' A' ' 49' ' ' PRO . 16.1 m-85 -106.26 91.9 3.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 30.5 t -144.09 80.0 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 0.0 110.066 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.688 ' O ' HG13 ' A' ' 55' ' ' VAL . 96.3 p -46.08 136.48 6.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.967 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.823 HG21 HG23 ' A' ' 34' ' ' VAL . 6.7 m -159.75 168.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.945 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -139.02 169.28 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.918 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -106.57 138.48 42.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -73.75 154.7 39.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.86 -27.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.455 ' N ' ' C ' ' A' ' 58' ' ' ASP . 6.4 t30 -87.3 31.45 0.73 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.07 41.56 2.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.479 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 71.7 m -118.04 113.42 21.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 0.728 . . . . 0.0 109.99 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.48 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . . . -98.43 95.81 7.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.059 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.4 p -88.18 87.31 7.28 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.589 ' HB ' HG11 ' A' ' 55' ' ' VAL . 3.3 p -107.27 165.91 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.374 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 2.2 p -136.56 133.93 36.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.059 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.836 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -160.43 167.72 26.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.373 1.045 . . . . 0.0 109.173 -179.942 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.836 ' H ' HD13 ' A' ' 67' ' ' LEU . 11.1 t -105.27 142.84 34.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.37 1.044 . . . . 0.0 110.402 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.597 HG11 ' CA ' ' A' ' 12' ' ' GLY . 60.8 t -88.88 87.22 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.522 ' NH1' ' HB2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -88.94 126.84 35.57 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.616 1.198 . . . . 0.0 110.378 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.408 ' C ' HH12 ' A' ' 70' ' ' ARG . 2.1 tmm_? -93.33 -37.0 12.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 0.0 110.165 -179.816 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 2.4 m -106.02 125.27 50.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CD2' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 174.92 161.99 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.913 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 2.6 tp10 -83.14 125.17 31.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.207 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.404 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -94.09 170.92 30.75 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.458 1.098 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.489 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -130.36 126.3 36.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 0.0 110.988 -179.934 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 83' ' ' TRP . 4.9 mt -62.02 157.14 19.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.394 1.059 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -75.17 -29.43 60.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 111.018 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -54.59 -56.36 19.81 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.58 -26.79 0.24 Allowed Glycine 0 CA--C 1.532 1.122 0 O-C-N 124.476 1.11 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m -83.73 149.35 26.52 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 0.781 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 8.9 mtt-85 -86.05 144.67 27.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 110.363 179.871 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.607 ' CE3' ' OD1' ' A' ' 41' ' ' ASP . 44.5 t-105 -104.74 -90.52 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.518 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 146.86 -75.8 0.28 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.518 1.136 . . . . 0.0 111.093 -179.92 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' THR . . . . . 1.059 ' OG1' HG22 ' A' ' 40' ' ' VAL . 17.0 m 69.22 -55.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 0.726 . . . . 0.0 110.318 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.501 ' HB ' ' O ' ' A' ' 85' ' ' THR . 65.8 t 73.03 -100.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.426 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -60.69 117.59 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.577 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 9.2 t -91.07 40.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.373 1.046 . . . . 0.0 108.193 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.582 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 8.6 t -90.06 -24.1 21.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.7 m -89.57 -57.92 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HA ' ' CH2' ' A' ' 39' ' ' TRP . . . -90.31 137.38 32.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.579 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . . . -82.04 127.84 33.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.387 1.054 . . . . 0.0 109.21 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 122.07 33.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.072 . . . . 0.0 108.285 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.579 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 21.4 mt-30 -102.98 117.5 34.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.538 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.3 t -86.3 116.81 29.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.342 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -156.49 168.07 33.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.904 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.859 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -105.96 127.01 52.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.579 0.811 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 32' ' ' TYR . 21.5 t -95.65 145.95 24.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.958 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -96.83 159.61 14.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.38 -3.58 37.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.88 -19.25 26.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.0 42.36 25.03 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 0.4 OUTLIER -94.72 137.1 34.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.82 97.68 0.01 OUTLIER Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.561 1.163 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.523 ' HG2' ' C2 ' ' A' ' 130' ' ' NCZ . 18.3 Cg_endo -75.02 139.32 24.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.565 1.824 . . . . 0.0 110.983 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.83 107.49 19.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -99.5 153.71 19.65 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.418 1.074 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 95' ' ' VAL . 9.6 p -105.39 114.52 45.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.6 0.824 . . . . 0.0 109.257 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.98 93.97 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.677 HD13 HG21 ' A' ' 7' ' ' VAL . 3.0 tp -70.89 145.0 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.656 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -70.16 56.77 0.15 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.155 . . . . 0.0 109.945 -179.922 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.582 ' CE1' ' HA ' ' A' ' 89' ' ' THR . 5.7 p90 -41.01 163.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 1.097 . . . . 0.0 111.048 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.969 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.612 ' C10' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.544 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -162.68 66.98 1.82 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.427 ' O ' HG23 ' A' ' 6' ' ' THR . 18.8 Cg_endo -74.88 49.16 2.15 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.49 1.784 . . . . 0.0 111.073 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.604 ' HB ' HD22 ' A' ' 26' ' ' LEU . 10.1 p 36.34 -135.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.47 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.6 ' HB2' HD21 ' A' ' 97' ' ' LEU . . . -86.58 113.14 22.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -141.58 147.76 38.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.57 1.169 . . . . 0.0 110.489 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.98 HG12 ' HD2' ' A' ' 9' ' ' PRO . 4.5 t -80.53 133.35 29.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.586 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.81 -60.73 0.44 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 110.415 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.98 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.9 Cg_endo -74.96 -159.79 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.781 . . . . 0.0 111.038 179.87 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.744 ' HA ' HD11 ' A' ' 110' ' ' ILE . 18.5 m -151.79 -64.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.474 ' CB ' ' HA ' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -116.0 164.09 14.95 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.113 . . . . 0.0 110.033 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.01 25.02 53.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.09 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.002 HD12 HG23 ' A' ' 110' ' ' ILE . 4.3 mt -79.08 152.75 30.66 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.465 0.744 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.4 t -126.01 150.56 48.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.427 ' CB ' ' HB2' ' A' ' 72' ' ' SER . 0.3 OUTLIER -55.65 81.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.395 1.059 . . . . 0.0 109.382 179.927 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 125.55 35.32 0.61 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.456 ' O ' ' HA ' ' A' ' 68' ' ' THR . 83.9 m -85.78 105.2 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 0.752 . . . . 0.0 110.304 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -73.38 118.62 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.803 HG11 ' CG ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -144.91 176.85 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.61 1.193 . . . . 0.0 109.141 -179.875 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -114.45 127.63 55.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.631 HG22 HG22 ' A' ' 7' ' ' VAL . 53.0 t -101.51 107.45 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.21 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.15 128.44 35.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.577 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -106.38 93.18 0.85 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.535 1.147 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' CB ' ' HA ' ' A' ' 2' ' ' ALA . . . -91.4 104.5 17.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 0.792 . . . . 0.0 109.23 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.36 30.42 27.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.629 HD12 ' H ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.66 -141.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.347 179.864 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.998 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 19.0 mm-40 -52.42 90.81 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.564 1.165 . . . . 0.0 110.322 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.02 84.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 76.99 5.06 84.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.573 1.17 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.515 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -90.0 -175.81 4.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 0.769 . . . . 0.0 110.399 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.77 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -144.11 115.54 8.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.606 ' CE1' ' OE1' ' A' ' 27' ' ' GLN . 4.6 m-30 -115.52 -168.89 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.432 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 37.1 t70 -115.58 111.84 21.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.705 1.253 . . . . 0.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.729 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -76.39 138.68 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.643 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 179.6 153.69 12.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.523 ' CG ' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.12 96.01 9.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.759 . . . . 0.0 110.279 -179.92 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.622 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 11.8 t -107.36 164.09 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 108.351 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 167.57 159.22 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.578 1.174 . . . . 0.0 109.241 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.499 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 28.8 p90 -74.15 118.81 17.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 107.988 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.057 HG11 ' CG ' ' A' ' 83' ' ' TRP . 1.2 p -108.61 -36.14 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.411 179.908 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -90.38 -175.41 4.47 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 44' ' ' VAL . 17.1 m -54.47 84.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.367 -179.892 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 59.95 18.01 45.77 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.509 1.131 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.959 ' CG1' HD23 ' A' ' 77' ' ' LEU . 9.6 t -93.97 122.67 45.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.401 0.706 . . . . 0.0 109.247 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.911 HD21 H173 ' A' ' 130' ' ' NCZ . 13.8 tp -77.32 112.21 13.79 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.387 1.054 . . . . 0.0 109.38 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.465 ' HB2' ' HG ' ' A' ' 77' ' ' LEU . . . -125.21 140.75 52.58 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.609 1.193 . . . . 0.0 109.361 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.577 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 3.9 m -110.52 150.44 28.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 108.417 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.575 ' CG ' ' CZ ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -78.15 168.28 28.79 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.594 1.184 . . . . 0.0 109.343 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.557 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.8 Cg_endo -74.99 -9.55 20.83 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.17 16.66 23.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.643 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -87.5 6.25 35.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 109.214 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.557 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -107.98 96.43 6.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 110.907 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.442 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -150.06 84.56 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.041 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.553 ' O ' HG23 ' A' ' 55' ' ' VAL . 91.3 p -38.48 144.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.946 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 54' ' ' SER . 2.7 t -155.93 153.38 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.77 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -139.19 141.67 37.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.468 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.998 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -105.97 142.61 35.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -64.68 158.06 25.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.65 -28.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.425 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' C ' ' A' ' 58' ' ' ASP . 19.0 t30 -87.67 33.23 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.15 41.55 4.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.12 100.17 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 0.712 . . . . 0.0 110.019 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.962 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -103.04 82.46 2.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.0 p -88.81 83.16 6.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.368 1.042 . . . . 0.0 109.945 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.524 HG21 HG21 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -106.96 163.02 13.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.395 179.929 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.5 p -135.35 134.56 39.93 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.956 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.885 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -158.73 172.23 18.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.885 ' H ' HD13 ' A' ' 67' ' ' LEU . 14.3 t -106.17 140.75 38.65 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.564 1.165 . . . . 0.0 110.513 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.593 HG21 HD13 ' A' ' 13' ' ' LEU . 9.3 t -88.24 87.51 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.673 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -88.29 65.45 8.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.338 1.024 . . . . 0.0 110.351 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.542 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 5.7 ttp85 -39.15 -28.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 86' ' ' VAL . 4.2 m -93.79 137.11 33.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 110.061 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.673 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 161.44 175.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.373 1.046 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.593 ' HA ' ' HA2' ' A' ' 84' ' ' GLY . 4.5 tp10 -92.98 103.94 16.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.653 ' HA3' ' CE3' ' A' ' 83' ' ' TRP . . . -80.33 166.47 49.68 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.524 1.14 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -146.37 145.66 30.37 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.512 0.772 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.959 HD23 ' CG1' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -91.25 145.77 24.38 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.196 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -83.92 -11.68 56.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -43.09 57.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 154.64 -24.64 0.65 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.406 1.066 . . . . 0.0 111.092 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.881 ' HB ' HD22 ' A' ' 77' ' ' LEU . 22.6 m -76.16 168.51 19.91 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 0.747 . . . . 0.0 110.3 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.537 ' C ' HD13 ' A' ' 77' ' ' LEU . 9.2 ptp180 -109.53 142.02 41.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 1.057 ' CG ' HG11 ' A' ' 40' ' ' VAL . 1.5 t90 -97.15 -86.23 0.34 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.593 ' HA2' ' HA ' ' A' ' 74' ' ' GLU . . . 83.57 -114.71 3.92 Favored Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.552 1.158 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.738 ' C ' HG23 ' A' ' 86' ' ' VAL . 26.7 m 82.81 -54.06 0.18 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.462 0.742 . . . . 0.0 110.463 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.738 HG23 ' C ' ' A' ' 85' ' ' THR . 2.8 t 85.79 -15.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -144.53 111.29 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 7.9 t -91.79 66.48 5.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.606 1.191 . . . . 0.0 108.329 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 t -104.17 -15.48 15.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 91' ' ' ALA . 9.7 t -89.34 -54.77 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 110.372 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.734 ' HB3' HG23 ' A' ' 40' ' ' VAL . . . -90.46 155.2 19.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -88.22 118.68 27.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.604 1.19 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.01 124.27 35.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.365 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.487 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -105.43 123.33 47.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.608 1.193 . . . . 0.0 110.273 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.523 HG13 ' CG ' ' A' ' 36' ' ' GLN . 1.9 t -89.41 132.04 35.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 179.15 172.45 43.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.729 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -107.35 136.25 47.48 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.928 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.449 ' HB2' ' C15' ' A' ' 130' ' ' NCZ . 87.8 p -106.08 159.09 16.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.603 1.189 . . . . 0.0 110.084 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.586 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -69.14 161.22 29.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.891 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.03 -5.02 58.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.4 -84.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -177.81 35.92 0.08 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.578 1.174 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 61.8 m-80 -148.94 163.89 36.16 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.476 0.751 . . . . 0.0 109.407 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.439 ' N ' ' O5 ' ' A' ' 130' ' ' NCZ . . . 164.58 81.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.81 -6.44 18.15 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.5 145.83 41.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 143.37 130.62 2.42 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.501 1.125 . . . . 0.0 111.131 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 4.2 p -106.03 134.61 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.386 0.698 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.79 93.97 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 1.002 HG23 HD12 ' A' ' 13' ' ' LEU . 1.1 tp -102.74 144.98 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.0 t 156.3 -55.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.051 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.474 ' HA ' ' CB ' ' A' ' 11' ' ' SER . 5.5 t80 -170.9 172.7 5.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.441 ' N ' ' HB2' ' A' ' 11' ' ' SER . 1.5 m-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.911 H173 HD21 ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.716 ' C ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.862 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -123.3 38.69 0.39 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.862 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 17.9 Cg_endo -75.07 52.92 3.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.435 ' HG1' ' C ' ' A' ' 3' ' ' PRO . 73.5 p 46.66 -124.5 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.727 ' HB2' HD23 ' A' ' 26' ' ' LEU . . . -83.49 122.44 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.725 HG21 ' HG2' ' A' ' 3' ' ' PRO . 1.1 p -144.01 146.94 33.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.11 . . . . 0.0 110.384 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.632 HG13 ' HD2' ' A' ' 9' ' ' PRO . 2.3 t -87.62 115.31 27.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.659 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -38.22 -64.35 0.46 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.659 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.03 -155.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.434 1.755 . . . . 0.0 111.031 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.519 ' OG ' ' CD2' ' A' ' 13' ' ' LEU . 95.6 p -104.79 -24.77 12.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.541 1.151 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.75 ' OG ' HG11 ' A' ' 19' ' ' VAL . 0.5 OUTLIER 48.92 -179.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.893 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.18 -46.64 3.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.519 ' CD2' ' OG ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -42.96 -34.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.553 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -129.17 116.61 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.94 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.493 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 14.5 p-10 -59.06 78.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.07 . . . . 0.0 109.274 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.616 ' C ' HG23 ' A' ' 68' ' ' THR . . . 128.04 40.5 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.478 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 24.0 m -87.82 121.84 30.73 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.474 0.749 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.01 122.47 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.75 HG11 ' OG ' ' A' ' 11' ' ' SER . 1.2 m -136.35 175.87 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.359 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -118.44 116.02 25.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.362 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.424 HG22 ' CG2' ' A' ' 7' ' ' VAL . 80.5 t -90.7 100.18 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.17 124.23 33.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -103.58 107.2 2.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.417 ' HB3' ' HA ' ' A' ' 2' ' ' ALA . . . -104.35 98.82 8.55 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.495 0.762 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.57 39.98 20.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.918 ' HG ' HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -88.93 -122.04 0.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 109.374 179.938 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.815 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 25.4 mm-40 -38.89 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.547 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 61.9 26.06 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 124.91 -15.43 7.42 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.467 1.104 . . . . 0.0 110.954 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.55 ' CA ' ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -83.46 -166.48 1.39 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 0.816 . . . . 0.0 110.418 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.972 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -150.73 148.69 28.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.637 1.211 . . . . 0.0 109.218 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.806 ' CD2' ' NE2' ' A' ' 27' ' ' GLN . 2.6 m-30 -150.15 -172.19 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.456 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -100.71 113.49 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.911 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.64 HG23 HG11 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -82.04 139.84 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 -179.956 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.602 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 171.86 160.48 20.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.365 1.041 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.54 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.6 OUTLIER -92.04 101.49 14.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.288 -179.927 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.649 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 2.7 t -106.4 153.55 22.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 108.251 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -179.49 159.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.363 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.582 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 20.0 m-90 -67.72 112.34 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 108.006 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.645 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -101.96 -49.8 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.91 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.594 ' OD2' HG21 ' A' ' 44' ' ' VAL . 1.1 t70 -91.09 169.32 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.575 ' O ' ' CG2' ' A' ' 42' ' ' THR . 1.5 t -35.25 102.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.474 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.87 26.37 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.734 ' CG1' HD12 ' A' ' 77' ' ' LEU . 2.1 t -101.89 122.84 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.577 0.81 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -74.73 109.44 8.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.487 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -121.39 141.69 50.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.403 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.577 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 36.7 m -104.89 158.64 16.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.374 1.046 . . . . 0.0 108.282 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.461 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 4.9 m-20 -82.54 164.97 44.85 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.605 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.02 -15.16 20.85 Favored 'Trans proline' 0 C--N 1.362 1.27 0 O-C-N 124.477 1.778 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.631 ' HB2' HH11 ' A' ' 70' ' ' ARG . . . -105.47 12.81 31.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 109.213 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.603 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -89.32 11.49 18.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.585 1.178 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -105.75 87.81 2.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.354 1.034 . . . . 0.0 110.947 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.498 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -147.64 86.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.904 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -36.76 151.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.043 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.671 HG23 ' HB ' ' A' ' 65' ' ' THR . 14.7 p -155.06 156.38 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.972 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -146.26 131.0 17.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.382 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.815 ' HB3' ' HB2' ' A' ' 27' ' ' GLN . . . -93.31 122.89 36.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.204 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 61' ' ' GLY . 1.3 m-20 -50.56 165.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.377 1.048 . . . . 0.0 109.3 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.77 -42.29 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.391 1.057 . . . . 0.0 109.318 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -86.75 38.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.2 39.34 3.99 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -94.43 90.25 6.16 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.438 0.728 . . . . 0.0 110.024 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.705 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.14 80.34 1.5 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.6 1.188 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -93.96 80.31 4.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.397 1.061 . . . . 0.0 110.004 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.671 ' HB ' HG23 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -107.99 131.73 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.358 1.036 . . . . 0.0 110.356 -179.941 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 10.8 p -102.36 137.68 40.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.428 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -154.54 178.21 10.33 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.406 1.066 . . . . 0.0 109.344 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.645 HG22 ' HG3' ' A' ' 70' ' ' ARG . 4.4 m -103.85 127.94 51.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.445 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.694 HG11 HG12 ' A' ' 110' ' ' ILE . 25.2 t -88.88 88.89 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.645 ' HG3' HG22 ' A' ' 68' ' ' THR . 0.8 OUTLIER -92.73 95.19 9.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.241 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -62.73 -39.02 92.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.505 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -87.98 130.32 34.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.925 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 163.44 173.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.394 1.059 . . . . 0.0 110.935 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.573 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 1.1 tp10 -80.76 118.28 22.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.07 161.65 28.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.573 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 2.2 m-85 -135.86 138.35 42.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.032 HD23 HG23 ' A' ' 81' ' ' THR . 0.4 OUTLIER -72.1 153.07 41.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.534 ' CD2' ' O5 ' ' A' ' 130' ' ' NCZ . 3.4 t80 -78.71 -22.36 46.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.4 -52.36 65.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.44 -27.83 0.21 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' THR . . . . . 1.032 HG23 HD23 ' A' ' 77' ' ' LEU . 1.6 t -85.18 174.51 9.6 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.396 0.703 . . . . 0.0 110.352 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.477 ' C ' HD22 ' A' ' 77' ' ' LEU . 11.2 ptt180 -117.34 150.5 38.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.757 ' HB2' HD11 ' A' ' 77' ' ' LEU . 36.3 t-105 -105.8 -87.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.588 1.18 . . . . 0.0 108.04 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 138.0 -101.73 0.34 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.494 1.121 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.932 ' O ' HG22 ' A' ' 86' ' ' VAL . 1.9 m 86.91 -61.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 0.752 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.932 HG22 ' O ' ' A' ' 85' ' ' THR . 0.8 OUTLIER 79.36 -18.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.219 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.467 ' H ' ' C ' ' A' ' 85' ' ' THR . 0.6 OUTLIER -141.97 104.3 4.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.607 1.192 . . . . 0.0 109.373 179.859 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 39.4 t -89.29 48.58 1.63 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.455 1.097 . . . . 0.0 108.273 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.6 t -91.85 -15.34 28.33 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.8 m -88.08 -53.16 4.86 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.598 1.186 . . . . 0.0 110.411 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -90.86 134.65 34.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -68.57 113.5 6.15 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.418 1.074 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.402 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -86.94 123.05 31.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 108.316 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.54 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 1.3 pt20 -104.98 122.48 45.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.631 ' O ' HG12 ' A' ' 108' ' ' VAL . 5.5 t -85.69 112.07 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.541 ' C ' H183 ' A' ' 130' ' ' NCZ . . . -161.44 177.39 37.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.918 HD11 ' HG ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -106.62 126.02 51.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.364 179.898 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.509 ' HB3' ' C8 ' ' A' ' 130' ' ' NCZ . 93.3 p -86.47 155.24 20.61 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.482 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -79.04 159.92 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.0 109.262 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.62 11.29 15.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.391 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.14 -74.07 0.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.389 1.056 . . . . 0.0 109.344 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 159.63 47.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.415 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 15.6 m-80 -121.26 161.85 21.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.272 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.67 98.58 1.08 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 -163.34 0.18 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.452 1.764 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.2 137.03 32.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.349 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -130.59 160.32 23.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.586 1.179 . . . . 0.0 111.065 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 95' ' ' VAL . 10.8 p -94.93 117.69 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.563 0.802 . . . . 0.0 109.246 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.43 92.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.694 HG12 HG11 ' A' ' 69' ' ' VAL . 1.0 OUTLIER -75.11 161.66 4.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.58 1.175 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.4 OUTLIER 158.63 -72.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.003 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.401 ' CG ' ' N ' ' A' ' 113' ' ' ASN . 12.8 t80 179.29 157.94 0.59 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.401 ' N ' ' CG ' ' A' ' 112' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.544 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.649 ' C6 ' ' CB ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.54 ' HB1' HG21 ' A' ' 6' ' ' THR . . . -95.17 154.94 39.43 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.407 1.067 . . . . 0.0 109.365 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.601 ' C ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.97 132.73 15.8 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.396 1.735 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.601 HG23 ' C ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 52.37 177.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.716 ' H ' HD23 ' A' ' 26' ' ' LEU . . . -44.86 132.77 6.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.398 1.061 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.54 HG21 ' HB1' ' A' ' 2' ' ' ALA . 1.1 p -150.74 144.98 25.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.993 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.4 t -82.86 127.67 39.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.524 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -38.47 -57.84 1.75 Allowed Pre-proline 0 C--N 1.328 -0.366 0 O-C-N 124.529 1.143 . . . . 0.0 110.439 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.993 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -75.03 -161.61 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.783 . . . . 0.0 110.981 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.647 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -141.79 -47.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -68.87 64.61 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.94 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.736 ' CA ' HD12 ' A' ' 110' ' ' ILE . . . -48.02 -20.42 1.32 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.893 ' O ' HD12 ' A' ' 13' ' ' LEU . 3.7 pp -65.93 66.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.391 0.701 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -140.76 123.22 15.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.158 179.954 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 14' ' ' SER . 5.8 p-10 -35.57 93.82 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.445 1.09 . . . . 0.0 109.229 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 42.44 68.83 0.68 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.653 1.22 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.501 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -74.47 123.07 24.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 0.773 . . . . 0.0 110.488 179.867 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -97.1 124.2 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.221 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.928 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -149.96 -169.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.889 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -104.25 141.86 35.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.339 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 6' ' ' THR . 59.3 t -118.0 91.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.06 131.54 37.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.529 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -128.55 102.68 0.58 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.39 115.12 24.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 0.812 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.66 34.96 29.95 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.422 1.077 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.716 HD23 ' H ' ' A' ' 5' ' ' ALA . 1.5 tm? -74.56 -99.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 109.143 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.597 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -83.78 10.94 8.29 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 74.56 -3.19 2.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.398 1.062 . . . . 0.0 109.265 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 124.83 -2.28 8.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.595 1.184 . . . . 0.0 111.011 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.617 HG22 ' H ' ' A' ' 31' ' ' ALA . 2.9 m -61.03 -154.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.42 0.718 . . . . 0.0 110.428 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.642 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -138.68 110.32 7.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.65 1.219 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.597 ' CE2' ' HG2' ' A' ' 27' ' ' GLN . 2.8 m-30 -119.87 -172.81 2.41 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.5 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 94.8 m-20 -111.17 114.58 27.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.839 HG21 HG21 ' A' ' 65' ' ' THR . 1.3 t -76.72 137.71 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.407 1.067 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.62 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 177.91 153.39 11.11 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.423 1.077 . . . . 0.0 111.067 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.58 ' HB2' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -93.09 95.66 9.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 0.0 110.384 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.655 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 6.2 t -105.0 156.88 17.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 108.31 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.53 ' HB2' ' H ' ' A' ' 94' ' ' GLN . . . 176.26 163.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 41.4 p-90 -71.18 117.41 12.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 108.025 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' A' ' 46' ' ' ALA . 4.4 p -102.54 -48.69 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.203 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.7 ' HB2' HD21 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -85.31 -160.21 0.49 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.571 1.169 . . . . 0.0 109.31 -179.9 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.9 m -66.52 80.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.05 10.36 56.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.697 ' CG1' HD22 ' A' ' 77' ' ' LEU . 9.7 t -84.57 111.99 21.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.738 . . . . 0.0 109.379 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.547 HD22 H173 ' A' ' 130' ' ' NCZ . 3.3 mt -67.45 107.73 2.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.71 ' HB2' HD23 ' A' ' 77' ' ' LEU . . . -121.83 143.38 49.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.602 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 4.0 m -109.21 152.03 25.72 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.479 1.112 . . . . 0.0 108.303 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.58 ' ND2' ' HB2' ' A' ' 36' ' ' GLN . 0.4 OUTLIER -77.91 171.94 11.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.231 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.601 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.03 -12.3 21.45 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 110.949 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.28 18.29 21.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.62 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 3.0 t70 -88.34 5.07 43.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -107.89 95.08 5.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.584 1.177 . . . . 0.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.419 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 13.6 t -146.62 80.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.971 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 99.6 p -46.42 134.13 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.185 . . . . 0.0 110.049 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.811 HG21 ' HB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -159.56 164.94 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 O-C-N 124.448 1.093 . . . . 0.0 109.379 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.642 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -132.65 158.2 42.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.337 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.451 ' O ' ' HA2' ' A' ' 29' ' ' GLY . . . -102.05 151.84 21.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.632 ' O ' ' N ' ' A' ' 61' ' ' GLY . 1.3 m-20 -68.61 162.81 25.1 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.637 1.211 . . . . 0.0 109.216 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.1 -40.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.391 1.057 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -87.24 38.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.53 43.67 3.92 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 74.9 m -105.28 100.64 10.22 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.496 0.762 . . . . 0.0 110.024 179.884 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -99.65 97.61 8.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.4 p -105.77 76.83 1.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.839 HG21 HG21 ' A' ' 34' ' ' VAL . 8.1 t -109.45 139.53 44.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.426 1.079 . . . . 0.0 110.367 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.0 p -89.7 134.03 34.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.731 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -144.04 165.99 26.23 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 109.214 -179.867 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.81 HG23 ' HG2' ' A' ' 70' ' ' ARG . 13.5 t -105.84 144.33 32.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.397 1.061 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.503 HG11 ' CA ' ' A' ' 12' ' ' GLY . 93.5 t -89.82 85.28 2.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 O-C-N 124.475 1.11 . . . . 0.0 109.162 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.81 ' HG2' HG23 ' A' ' 68' ' ' THR . 0.9 OUTLIER -88.01 75.51 8.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.677 1.236 . . . . 0.0 110.336 179.909 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.515 ' CG ' ' CB ' ' A' ' 88' ' ' CYS . 16.6 ttp85 -53.37 -31.0 42.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.334 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.667 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 86.9 p -106.63 129.68 54.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.597 1.186 . . . . 0.0 109.999 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.667 ' CD1' ' O ' ' A' ' 72' ' ' SER . 0.5 OUTLIER 158.92 126.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.382 1.051 . . . . 0.0 110.975 179.857 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.9 ' HA ' HG23 ' A' ' 86' ' ' VAL . 0.7 OUTLIER -75.3 113.05 12.22 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -103.9 -148.25 18.83 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.426 1.079 . . . . 0.0 110.97 -179.877 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 7.7 m-85 -126.95 151.11 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.792 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.71 HD23 ' HB2' ' A' ' 46' ' ' ALA . 1.8 mt -90.29 171.31 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.587 ' CD1' HG13 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -57.51 -29.19 64.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.563 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 7.8 t70 -73.28 -62.66 1.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.429 ' O ' ' CD2' ' A' ' 76' ' ' PHE . . . 166.48 -28.61 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.426 1.079 . . . . 0.0 111.0 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 76' ' ' PHE . 84.2 m -39.58 154.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 0.772 . . . . 0.0 110.332 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.53 72.28 3.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.066 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.687 ' O ' ' N ' ' A' ' 75' ' ' GLY . 1.9 t90 -112.2 -83.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.66 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 53.06 139.61 0.0 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.425 1.078 . . . . 0.0 110.944 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.639 ' C ' ' O ' ' A' ' 84' ' ' GLY . 1.3 m 14.27 -81.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 0.749 . . . . 0.0 110.444 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.9 HG23 ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER 78.5 -53.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 124.452 1.095 . . . . 0.0 109.234 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.545 ' N ' HG12 ' A' ' 86' ' ' VAL . 7.0 t0 -151.43 87.22 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.515 ' CB ' ' CG ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -71.64 57.96 0.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 108.25 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.0 m -93.61 -4.61 50.46 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.453 1.096 . . . . 0.0 110.417 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.1 m -149.75 -44.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.447 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.74 133.34 39.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 109.36 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.29 126.71 32.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.36 125.65 36.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.53 ' H ' ' HB2' ' A' ' 38' ' ' ALA . 35.4 mt-30 -98.05 116.46 30.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 3.4 t -88.95 114.89 27.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.336 1.023 . . . . 0.0 109.259 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.85 170.98 39.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.701 HD21 ' HB2' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -105.48 122.0 45.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.348 0.675 . . . . 0.0 109.356 179.938 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.9 p -93.25 163.54 13.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 110.038 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -75.56 159.39 31.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.585 1.178 . . . . 0.0 109.376 179.896 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.15 9.75 14.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.39 -79.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 174.77 45.89 0.05 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -134.61 156.73 48.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 0.732 . . . . 0.0 109.375 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -126.04 111.2 1.4 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.397 1.061 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.83 -165.33 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.47 1.773 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.81 138.03 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -119.76 169.63 13.88 Favored Glycine 0 CA--C 1.528 0.883 0 O-C-N 124.489 1.118 . . . . 0.0 111.078 179.892 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.636 HG11 HG23 ' A' ' 7' ' ' VAL . 5.4 p -103.97 114.6 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.562 0.801 . . . . 0.0 109.237 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.64 91.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.345 1.028 . . . . 0.0 109.326 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.736 HD12 ' CA ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -96.65 127.37 48.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.203 -179.907 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.801 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER 163.4 -45.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.985 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 112' ' ' PHE . 1.4 p90 -151.43 134.53 15.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 0.0 111.099 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.144 -179.841 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.655 ' C6 ' ' CB ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.538 ' O ' HG21 ' A' ' 6' ' ' THR . . . 64.58 73.85 0.43 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.617 1.198 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.552 ' C ' HG23 ' A' ' 4' ' ' THR . 18.1 Cg_endo -75.04 -175.92 2.62 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.615 1.85 . . . . 0.0 110.966 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.552 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.4 p 60.44 -158.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 110.38 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.864 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . . . -66.57 119.31 11.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.538 HG21 ' O ' ' A' ' 2' ' ' ALA . 1.0 OUTLIER -141.5 144.82 34.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.779 HG12 ' HD2' ' A' ' 9' ' ' PRO . 1.7 t -83.53 137.91 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.182 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.45 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.62 -54.08 1.3 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.541 179.872 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.779 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.12 -157.14 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.473 1.776 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.421 ' N ' HD11 ' A' ' 110' ' ' ILE . 60.7 p -145.56 -67.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 -179.933 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -129.82 -179.55 5.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.058 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 112' ' ' PHE . . . 57.32 52.84 49.18 Favored Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.961 HD12 HG11 ' A' ' 69' ' ' VAL . 28.2 mt -90.41 -178.93 5.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 0.733 . . . . 0.0 109.23 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.5 t -126.53 148.58 49.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 109.925 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -56.5 80.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.546 1.154 . . . . 0.0 109.391 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 117.72 40.84 0.69 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.514 1.133 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.675 HG21 HD22 ' A' ' 13' ' ' LEU . 35.4 m -80.32 107.39 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 0.795 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -81.76 123.77 38.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.526 HG11 ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -151.41 178.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.87 137.62 38.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 6' ' ' THR . 21.4 t -115.8 100.36 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.227 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.09 128.9 37.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.421 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -115.49 97.77 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.55 115.89 28.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.431 0.724 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.72 17.16 62.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.045 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.864 ' CD1' ' HB2' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -84.53 -147.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 0.736 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.852 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 60.4 mm-40 -46.16 89.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.96 84.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.604 1.19 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 74.91 7.63 81.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.599 1.187 . . . . 0.0 111.053 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.485 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.13 -178.39 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.4 0.706 . . . . 0.0 110.346 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.7 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -139.56 113.5 8.73 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.653 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.5 m-30 -115.76 -171.27 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -109.06 109.27 20.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.083 ' CG2' HD22 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -73.92 137.17 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.62 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 175.2 159.41 21.27 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.571 ' HB2' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -96.03 93.41 6.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 0.752 . . . . 0.0 110.291 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.713 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 4.7 t -106.82 164.36 12.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 108.279 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 161.63 172.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.436 ' CD1' ' O ' ' A' ' 39' ' ' TRP . 19.4 p90 -66.82 102.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 108.04 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 41' ' ' ASP . 2.7 m -85.6 -53.4 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.527 ' N ' ' CG2' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -90.27 -165.14 1.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.909 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.5 m -76.37 94.65 3.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.379 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.59 14.34 72.26 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.627 1.204 . . . . 0.0 111.071 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.469 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 8.8 t -104.79 107.98 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.208 -179.933 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.7 HD22 H173 ' A' ' 130' ' ' NCZ . 0.2 OUTLIER -78.82 110.03 13.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.61 1.194 . . . . 0.0 109.367 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.57 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . . . -126.75 166.46 17.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.173 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.614 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 2.4 m -127.25 144.87 50.96 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.463 1.102 . . . . 0.0 108.153 -179.916 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.571 ' ND2' ' HB2' ' A' ' 36' ' ' GLN . 1.8 m-20 -66.34 169.76 6.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.397 1.061 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.61 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.5 Cg_endo -74.92 -13.18 21.67 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.493 1.786 . . . . 0.0 111.102 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.37 15.88 25.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.097 . . . . 0.0 109.382 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.62 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -88.06 5.73 39.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.61 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -108.19 94.56 5.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 111.054 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.731 ' CB ' HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -148.57 84.25 1.48 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.883 -179.952 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.6 p -40.06 124.91 1.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.941 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.007 HG22 HG21 ' A' ' 65' ' ' THR . 2.2 t -138.46 156.06 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.7 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -139.44 143.55 37.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.429 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 1.066 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.85 142.54 36.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.622 1.201 . . . . 0.0 109.331 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.6 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -58.01 158.8 6.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.37 -30.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 58' ' ' ASP . 1.7 t-20 -88.64 35.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.181 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.62 42.34 3.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.102 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 3.4 m -106.71 97.87 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.958 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 1.066 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.43 88.16 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.369 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.4 p -97.48 75.2 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.076 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' THR . . . . . 1.007 HG21 HG22 ' A' ' 55' ' ' VAL . 28.2 m -108.56 140.01 42.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.397 1.061 . . . . 0.0 110.502 179.907 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.0 p -100.76 137.6 38.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.069 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.78 HD12 ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -150.09 174.19 13.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.408 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.514 HG23 ' HG2' ' A' ' 70' ' ' ARG . 14.6 t -105.95 134.21 49.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.961 HG11 HD12 ' A' ' 13' ' ' LEU . 35.1 t -88.15 92.54 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.551 ' H ' HE22 ' A' ' 36' ' ' GLN . 3.1 mmt180 -87.81 95.4 10.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 110.335 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.512 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 2.6 ttm180 -64.72 -36.69 85.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -101.26 122.43 43.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.042 179.928 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.529 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 168.73 135.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 83' ' ' TRP . 26.0 tt0 -91.06 108.35 19.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.635 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -97.75 -144.9 17.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.424 1.078 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.496 ' HA ' ' O ' ' A' ' 81' ' ' THR . 9.2 m-85 -135.68 144.19 45.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.611 HD11 ' CB ' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -93.11 -176.81 4.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -76.0 -23.8 55.25 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.595 1.184 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.88 -34.36 77.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.29 11.98 7.8 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.32 1.013 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' A' ' 76' ' ' PHE . 1.1 m -89.05 157.61 18.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 110.525 179.855 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 5.6 ptp180 -94.58 74.71 3.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.635 ' O ' ' N ' ' A' ' 75' ' ' GLY . 8.6 t-105 -112.35 -84.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 108.097 179.908 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.713 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 56.47 85.95 0.03 OUTLIER Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.542 1.151 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.779 ' C ' HG23 ' A' ' 86' ' ' VAL . 90.0 m 50.93 -74.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.599 0.823 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.779 HG23 ' C ' ' A' ' 85' ' ' THR . 2.8 t 87.14 -43.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 89' ' ' THR . 7.9 t0 -155.1 82.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.528 ' SG ' HG21 ' A' ' 85' ' ' THR . 0.1 OUTLIER -68.39 63.12 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 108.261 -179.91 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 87' ' ' ASP . 12.8 t -92.73 -8.29 44.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.432 1.082 . . . . 0.0 110.392 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.7 m -149.84 -45.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.07 143.29 48.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.11 114.07 26.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 0.0 109.215 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.18 128.16 37.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 108.344 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.426 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 35.6 mt-30 -97.49 116.72 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.238 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.63 ' CG2' HG22 ' A' ' 110' ' ' ILE . 2.5 t -88.98 112.56 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.571 1.169 . . . . 0.0 109.24 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.529 ' C ' HD23 ' A' ' 97' ' ' LEU . . . -163.85 175.88 39.96 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.6 1.187 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.083 HD22 ' CG2' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -106.12 134.72 48.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 83.5 p -106.43 145.22 32.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.929 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.592 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -50.62 163.09 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.639 1.212 . . . . 0.0 109.403 179.942 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.63 -4.52 34.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.638 1.212 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.2 -21.03 19.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.908 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.4 47.74 2.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.426 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 12.9 m120 -147.58 160.44 42.64 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.509 0.77 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.09 105.49 3.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 111.042 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 52.12 3.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.448 1.762 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.882 ' O ' H181 ' A' ' 130' ' ' NCZ . 0.7 OUTLIER -90.75 132.93 35.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.348 179.905 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 151.25 142.42 3.52 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 110' ' ' ILE . 2.4 p -105.14 128.29 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.382 0.695 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.64 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.388 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.732 HG21 HG21 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -114.29 162.79 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 4.1 t 98.01 -52.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.391 1.057 . . . . 0.0 109.948 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.531 ' O ' ' CB ' ' A' ' 11' ' ' SER . 6.2 t80 -27.71 141.91 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.204 -179.921 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.882 H181 ' O ' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.717 ' HB1' HG21 ' A' ' 6' ' ' THR . . . -147.76 135.54 10.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.211 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.01 173.9 13.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.472 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 0.5 OUTLIER 43.63 -168.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 110.4 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.716 ' HB2' HD21 ' A' ' 97' ' ' LEU . . . -65.37 116.23 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.907 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.717 HG21 ' HB1' ' A' ' 2' ' ' ALA . 0.9 OUTLIER -141.69 145.38 34.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 110.385 -179.935 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.775 HG13 HG21 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -88.16 122.72 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.929 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.779 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -37.46 -70.06 0.16 Allowed Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 124.483 1.114 . . . . 0.0 110.455 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.779 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.1 -152.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.601 1.843 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.513 ' O ' ' O ' ' A' ' 11' ' ' SER . 12.3 p -103.16 -32.02 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.963 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.65 ' HB3' HG11 ' A' ' 69' ' ' VAL . 0.5 OUTLIER 46.08 -179.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 109.947 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.67 -41.09 3.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -63.29 -20.12 65.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.428 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.544 ' HB3' ' OG1' ' A' ' 17' ' ' THR . 25.3 t -139.54 98.1 3.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 110.06 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.42 ' CG ' ' OG ' ' A' ' 72' ' ' SER . 4.3 p30 -54.92 102.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 109.326 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.467 ' HA2' ' CD ' ' A' ' 70' ' ' ARG . . . 122.44 21.19 2.79 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.585 1.178 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.544 ' OG1' ' HB3' ' A' ' 14' ' ' SER . 88.3 m -80.9 108.26 14.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.574 0.808 . . . . 0.0 110.414 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.78 118.65 22.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 109.286 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.775 HG21 HG13 ' A' ' 7' ' ' VAL . 1.3 m -138.72 -178.14 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.431 1.082 . . . . 0.0 109.215 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -113.71 128.83 56.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.344 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.555 HG22 HG23 ' A' ' 7' ' ' VAL . 46.5 t -103.79 100.2 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.21 119.64 29.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.472 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -110.31 81.4 0.29 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.47 1.106 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.16 123.85 28.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.436 0.727 . . . . 0.0 109.254 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 50.53 45.19 46.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.4 1.062 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.825 HD12 HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -87.88 -87.55 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.595 ' NE2' ' CD2' ' A' ' 32' ' ' TYR . 33.6 mm-40 -83.02 8.33 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 75.86 -10.48 1.27 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.445 1.09 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.682 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 129.56 -2.6 6.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.569 HG22 ' H ' ' A' ' 31' ' ' ALA . 2.1 m -57.8 -155.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.627 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -135.49 108.93 7.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.61 ' HB2' HD12 ' A' ' 97' ' ' LEU . 4.8 m-85 -120.46 164.1 16.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.558 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -88.87 112.97 23.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.416 1.073 . . . . 0.0 109.252 -179.916 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.904 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -79.19 140.34 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.424 1.078 . . . . 0.0 109.255 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.601 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 164.72 161.63 14.11 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.556 1.16 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.602 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.26 102.18 14.45 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.571 0.806 . . . . 0.0 110.37 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.573 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 4.7 t -108.15 154.61 21.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 108.357 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.604 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -178.62 168.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.214 -179.896 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.454 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 48.4 p90 -77.21 111.13 12.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 107.964 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.744 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -97.28 -47.58 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.604 ' OD1' ' CH2' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -87.53 -172.11 3.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.214 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.5 m -55.25 89.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 110.409 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 56.0 20.83 28.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.156 . . . . 0.0 111.079 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 42' ' ' THR . 50.7 t -96.62 115.53 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.284 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.472 ' CD2' H173 ' A' ' 130' ' ' NCZ . 0.5 OUTLIER -67.0 107.04 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.382 179.938 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.549 ' HB2' HD13 ' A' ' 77' ' ' LEU . . . -120.47 134.59 55.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.216 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.584 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 19.5 m -95.98 157.65 15.8 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.428 1.08 . . . . 0.0 108.248 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.509 ' CB ' ' NE2' ' A' ' 36' ' ' GLN . 1.3 m-80 -83.86 167.81 25.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.178 -179.873 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.653 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.0 Cg_endo -75.0 -16.15 20.35 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.443 1.76 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.37 12.17 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.358 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.621 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -93.97 15.05 17.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.193 -179.889 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.653 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.9 m-85 -108.63 93.98 4.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.612 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -149.46 81.86 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.982 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.4 p -55.43 124.61 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.752 HG21 ' HB ' ' A' ' 65' ' ' THR . 4.2 p -148.68 158.75 6.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.368 1.043 . . . . 0.0 109.363 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.627 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -123.95 161.57 25.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 179.89 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.798 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -103.87 148.89 25.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.634 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.9 OUTLIER -63.83 161.85 14.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.347 1.029 . . . . 0.0 109.321 179.941 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.92 -35.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -88.56 37.23 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.634 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.35 41.01 2.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 57.3 m -107.34 96.32 6.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.798 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -104.62 90.78 3.61 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.364 1.04 . . . . 0.0 109.209 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.4 p -95.37 83.78 3.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.427 1.079 . . . . 0.0 110.005 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.878 HG21 HG21 ' A' ' 34' ' ' VAL . 14.7 t -108.46 133.93 51.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.639 1.212 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.9 p -101.01 139.51 36.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.948 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.542 HD11 ' CB ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -156.24 176.95 12.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.21 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 t -105.07 133.62 49.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.65 HG11 ' HB3' ' A' ' 11' ' ' SER . 80.3 t -90.07 85.75 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.229 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.467 ' CD ' ' HA2' ' A' ' 16' ' ' GLY . 11.9 mmt180 -93.79 78.57 4.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 110.218 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -48.65 -37.85 19.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.411 1.069 . . . . 0.0 110.345 179.797 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 78.5 p -86.33 130.12 34.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.085 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.536 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 162.14 171.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.641 1.213 . . . . 0.0 111.0 -179.931 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.604 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 7.8 tt0 -80.79 114.16 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.07 168.16 38.67 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.604 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 4.6 m-85 -141.05 129.95 23.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 0.715 . . . . 0.0 110.948 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.024 HD23 HG23 ' A' ' 81' ' ' THR . 0.9 OUTLIER -61.19 156.74 17.68 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.91 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.416 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 3.2 t80 -82.48 -20.11 37.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.621 1.201 . . . . 0.0 110.966 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.34 -51.89 66.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.54 -27.05 0.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' THR . . . . . 1.024 HG23 HD23 ' A' ' 77' ' ' LEU . 2.3 t -84.6 161.37 20.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 0.801 . . . . 0.0 110.428 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -103.94 150.7 23.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 110.222 -179.917 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.744 ' CD1' HG13 ' A' ' 40' ' ' VAL . 56.9 t-105 -106.14 -87.22 0.47 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.506 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 134.69 -83.64 0.28 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.82 HG22 ' H ' ' A' ' 87' ' ' ASP . 2.4 m 68.14 -60.53 0.41 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.768 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 85' ' ' THR . 16.3 t 78.18 -18.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.82 ' H ' HG22 ' A' ' 85' ' ' THR . 0.5 OUTLIER -139.73 99.7 3.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 93' ' ' CYS . 43.0 t -91.14 40.4 1.03 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.511 1.132 . . . . 0.0 108.199 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.3 t -88.59 -12.87 41.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.375 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.8 m -89.13 -50.06 6.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.458 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.454 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -91.34 135.55 33.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.9 110.2 3.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.604 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -89.06 124.21 34.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 108.35 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 4.2 pt20 -104.79 121.96 44.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.602 HG22 ' HB3' ' A' ' 36' ' ' GLN . 1.5 t -89.18 113.06 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -162.38 175.18 38.85 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.411 1.069 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.904 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -106.8 125.91 51.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.378 0.693 . . . . 0.0 109.262 -179.936 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.508 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 29.0 t -104.35 168.33 9.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.163 . . . . 0.0 109.951 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.536 ' OD1' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -100.08 161.35 13.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.399 179.921 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.05 20.28 4.39 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.658 1.224 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.84 -36.83 6.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.379 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.81 53.4 0.81 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.592 1.183 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 105' ' ' PRO . 7.2 m120 -115.12 136.87 52.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.368 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -32.3 93.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.598 1.186 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.554 ' HG2' ' C1 ' ' A' ' 130' ' ' NCZ . 18.2 Cg_endo -74.98 133.03 16.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.09 147.69 23.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.283 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -157.62 165.0 33.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.072 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.717 HG13 HD13 ' A' ' 110' ' ' ILE . 7.5 p -95.99 127.01 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 109.419 179.847 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.42 91.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.597 1.185 . . . . 0.0 109.213 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.717 HD13 HG13 ' A' ' 108' ' ' VAL . 0.8 OUTLIER -75.01 154.42 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.373 179.886 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.496 ' O ' ' O ' ' A' ' 11' ' ' SER . 0.4 OUTLIER 165.02 -77.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.47 ' CG ' ' N ' ' A' ' 113' ' ' ASN . 1.9 t80 -164.11 162.58 23.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.47 ' N ' ' CG ' ' A' ' 112' ' ' PHE . 1.1 t-20 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.584 ' C9 ' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.447 ' HB1' HG21 ' A' ' 6' ' ' THR . . . -130.32 149.19 72.64 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.675 1.234 . . . . 0.0 109.245 -179.88 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.402 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 18.1 Cg_endo -75.02 165.66 30.83 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.534 1.808 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.456 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.0 OUTLIER 43.84 -166.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 110.368 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.647 ' CB ' HD11 ' A' ' 97' ' ' LEU . . . -70.46 119.64 14.92 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.447 HG21 ' HB1' ' A' ' 2' ' ' ALA . 0.9 OUTLIER -140.45 145.83 37.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 -179.853 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.829 HG11 HD12 ' A' ' 110' ' ' ILE . 3.2 t -88.88 112.01 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 109.336 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.691 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -49.48 -66.3 0.64 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 -179.933 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.691 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.99 59.72 5.26 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.552 1.817 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 111' ' ' SER . 11.1 p -89.53 28.32 1.31 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.379 1.049 . . . . 0.0 109.973 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 12' ' ' GLY . 26.2 t -114.63 133.6 55.71 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.59 1.181 . . . . 0.0 109.925 -179.874 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 11' ' ' SER . . . 32.78 53.82 0.49 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.663 HD13 HG12 ' A' ' 69' ' ' VAL . 0.9 OUTLIER -44.74 161.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 109.257 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.536 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -128.87 147.82 50.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 110.102 179.933 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.441 ' OD2' ' NH2' ' A' ' 71' ' ' ARG . 5.0 m-20 -50.79 89.72 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.632 1.208 . . . . 0.0 109.228 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.622 ' HA2' HG22 ' A' ' 68' ' ' THR . . . 91.84 50.71 2.62 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.597 HG22 ' CG1' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -90.93 125.66 35.83 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.574 0.809 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.428 ' H ' HG23 ' A' ' 18' ' ' VAL . 1.5 t -73.23 104.2 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.825 ' HB ' HG13 ' A' ' 7' ' ' VAL . 3.8 m -111.93 169.06 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.605 1.191 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.26 115.9 25.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.515 ' CG1' ' HB1' ' A' ' 5' ' ' ALA . 27.3 t -89.87 94.28 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -88.66 117.83 27.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.322 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.456 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -99.81 113.99 4.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.448 1.093 . . . . 0.0 111.066 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 3' ' ' PRO . . . -102.88 103.4 13.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 0.816 . . . . 0.0 109.237 -179.895 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.3 34.23 89.36 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.888 HD21 HD21 ' A' ' 97' ' ' LEU . 7.7 tp -77.29 -110.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 0.786 . . . . 0.0 109.266 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.823 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -45.05 -24.61 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.472 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 63.88 24.53 13.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.907 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 119.1 -10.36 11.89 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.617 1.198 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.464 ' CA ' ' HB3' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -84.14 -161.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 0.804 . . . . 0.0 110.3 -179.901 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.594 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -148.34 153.31 38.44 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.604 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 12.9 m-85 -150.74 -169.99 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.497 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -108.46 107.22 17.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.156 -179.955 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.575 HG23 HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -76.04 141.25 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.226 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.613 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 175.36 156.05 13.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.922 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.655 HE21 ' HA ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -93.13 95.03 9.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.315 -179.914 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.655 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 4.6 t -105.43 156.9 17.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 108.266 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 175.1 163.84 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.37 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.6 p90 -71.85 116.39 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 108.079 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.458 HG12 ' HB3' ' A' ' 46' ' ' ALA . 8.5 p -100.31 -49.1 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.525 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -82.4 -159.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.919 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.4 m -79.01 88.2 4.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.39 23.02 75.07 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.793 ' CG1' HD22 ' A' ' 77' ' ' LEU . 4.0 t -106.21 111.3 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.784 . . . . 0.0 109.276 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.779 HD22 H173 ' A' ' 130' ' ' NCZ . 3.1 mt -71.87 109.77 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.835 ' HB2' HD23 ' A' ' 77' ' ' LEU . . . -124.65 144.92 49.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.598 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 3.5 m -110.51 151.59 27.39 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.443 1.089 . . . . 0.0 108.307 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.599 ' ND2' ' HB2' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -77.49 171.22 13.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.617 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.9 -12.46 21.74 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.554 1.818 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.6 16.18 25.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.613 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.7 t70 -87.36 6.66 32.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.617 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -108.57 94.89 5.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 -179.946 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.713 ' CB ' HD21 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -150.97 84.14 1.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 p -40.69 131.07 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 0.0 109.959 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.575 HG11 HG23 ' A' ' 34' ' ' VAL . 12.1 p -127.04 162.22 32.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.78 134.58 22.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 1.032 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.39 135.65 47.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.339 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -60.44 161.41 7.47 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.615 1.197 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.22 -35.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -88.19 37.03 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.19 36.94 2.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -94.97 92.72 7.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 0.796 . . . . 0.0 109.954 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 1.032 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.88 78.3 1.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.0 p -94.91 75.9 3.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.613 1.196 . . . . 0.0 110.095 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.471 ' CB ' HG23 ' A' ' 55' ' ' VAL . 1.8 m -109.24 131.0 55.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.48 ' O ' HD12 ' A' ' 67' ' ' LEU . 39.9 p -95.3 142.88 27.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.388 1.055 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.713 HD21 ' CB ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -146.32 179.92 7.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.622 HG22 ' HA2' ' A' ' 16' ' ' GLY . 34.2 m -104.63 129.24 52.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.328 1.018 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.663 HG12 HD13 ' A' ' 13' ' ' LEU . 9.9 t -88.1 90.38 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.356 1.035 . . . . 0.0 109.392 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.638 ' H ' HE22 ' A' ' 36' ' ' GLN . 10.2 mmt180 -89.3 118.38 28.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.585 ' HB2' HD11 ' A' ' 13' ' ' LEU . 9.9 ttp180 -87.25 -32.59 19.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 83.2 p -103.42 121.0 41.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.896 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.472 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 165.49 128.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.891 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.814 ' HA ' HG23 ' A' ' 86' ' ' VAL . 0.8 OUTLIER -74.76 115.09 13.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.626 1.204 . . . . 0.0 110.244 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.714 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -100.38 -153.49 26.95 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.492 ' CZ ' ' HG3' ' A' ' 82' ' ' ARG . 70.3 m-85 -127.5 146.27 50.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.353 0.678 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.89 HD12 HG23 ' A' ' 81' ' ' THR . 5.2 mt -88.64 179.93 6.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.608 1.192 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -71.76 -22.63 61.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.77 -62.39 1.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.42 -24.72 0.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.89 HG23 HD12 ' A' ' 77' ' ' LEU . 2.1 t -52.01 155.81 1.74 Allowed 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.417 0.716 . . . . 0.0 110.424 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.492 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 2.0 ttt180 -95.42 78.6 3.41 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.502 1.126 . . . . 0.0 110.363 179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.714 ' O ' ' N ' ' A' ' 75' ' ' GLY . 4.0 t-105 -114.06 -84.81 0.6 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.655 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 51.19 144.21 0.0 OUTLIER Glycine 0 CA--C 1.532 1.126 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.655 ' C ' ' O ' ' A' ' 84' ' ' GLY . 1.3 m 12.25 -83.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.592 0.819 . . . . 0.0 110.431 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.814 HG23 ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER 81.74 -50.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.193 . . . . 0.0 109.31 -179.926 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 89' ' ' THR . 8.4 t0 -151.49 80.79 1.29 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.366 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -69.66 60.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 108.39 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 87' ' ' ASP . 7.5 t -94.57 -5.99 44.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.5 m -150.98 -44.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.52 138.33 58.35 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.418 1.073 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.36 117.91 24.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.979 ' O ' HG22 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -90.93 129.06 36.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.392 1.057 . . . . 0.0 108.245 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.501 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 25.2 mt-30 -101.17 115.68 31.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.916 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.4 t -87.61 105.71 15.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.372 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.491 ' C ' H183 ' A' ' 130' ' ' NCZ . . . -154.29 176.02 32.28 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.888 HD21 HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -106.22 147.53 28.98 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.499 0.764 . . . . 0.0 109.254 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.14 143.13 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.13 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.576 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -81.82 159.66 23.71 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 0.0 109.202 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.85 -12.38 59.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.381 1.051 . . . . 0.0 109.198 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.48 -13.15 32.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.96 47.03 40.79 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.454 1.097 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 105' ' ' PRO . 25.5 m120 -104.92 147.17 28.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 0.743 . . . . 0.0 109.198 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -35.58 96.63 0.01 OUTLIER Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.0 Cg_endo -75.1 150.13 37.29 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.341 1.706 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.3 107.16 18.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -103.22 151.25 17.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.916 HG12 ' O ' ' A' ' 95' ' ' VAL . 9.0 p -101.38 116.67 45.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.78 92.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.979 HG22 ' O ' ' A' ' 93' ' ' CYS . 3.8 tt -71.34 148.38 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 10' ' ' SER . 9.3 m -64.92 69.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 39.0 p90 -40.34 125.44 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.322 -179.971 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.779 H173 HD22 ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.617 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.691 ' O ' HG21 ' A' ' 6' ' ' THR . . . 77.84 70.98 0.19 Allowed Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.452 ' C ' HG23 ' A' ' 4' ' ' THR . 18.4 Cg_endo -74.85 -179.15 4.66 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.473 1.775 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.739 ' HB ' HD23 ' A' ' 26' ' ' LEU . 2.0 p 57.47 -166.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.55 1.157 . . . . 0.0 110.34 179.829 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 97' ' ' LEU . . . -53.06 120.26 5.68 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.605 1.191 . . . . 0.0 109.337 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.691 HG21 ' O ' ' A' ' 2' ' ' ALA . 1.0 OUTLIER -143.89 144.28 31.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 0.0 110.412 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.915 HG23 HG22 ' A' ' 21' ' ' VAL . 2.9 p -107.58 137.17 40.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.597 1.185 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.575 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -32.08 -60.17 0.35 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 110.331 -179.875 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.151 ' CD ' HG21 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.01 148.64 35.51 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 p -128.95 -53.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 110.032 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.471 ' HB2' ' N ' ' A' ' 113' ' ' ASN . 13.2 t -125.36 163.8 21.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.18 35.16 68.92 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.546 1.154 . . . . 0.0 111.071 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.807 HD23 HG23 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -66.75 173.36 3.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.748 . . . . 0.0 109.374 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.599 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -124.65 139.06 54.21 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.536 1.148 . . . . 0.0 109.93 -179.865 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.36 78.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.593 1.183 . . . . 0.0 109.43 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 124.64 38.46 0.51 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.3 m -88.26 103.36 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 0.711 . . . . 0.0 110.375 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.6 p -89.73 129.56 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.151 HG21 ' CD ' ' A' ' 9' ' ' PRO . 12.2 m -152.8 -159.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -112.15 140.14 47.09 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.381 1.051 . . . . 0.0 109.348 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.915 HG22 HG23 ' A' ' 7' ' ' VAL . 25.6 t -111.93 96.33 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.217 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.16 123.74 34.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.433 ' CA ' ' HA ' ' A' ' 5' ' ' ALA . . . -120.02 92.78 0.53 Allowed Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.39 111.98 23.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 0.738 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.99 12.49 20.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.739 HD23 ' HB ' ' A' ' 4' ' ' THR . 0.2 OUTLIER -98.17 -143.45 0.31 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 0.0 109.252 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.849 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.6 mm100 -40.84 89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -61.32 82.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 77.05 11.48 85.53 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.656 1.222 . . . . 0.0 111.101 -179.891 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.516 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -90.47 -175.65 4.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.611 0.83 . . . . 0.0 110.373 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.608 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -135.8 107.84 7.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 0.0 109.372 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.625 ' CE2' ' CD ' ' A' ' 27' ' ' GLN . 3.8 m-30 -117.39 -169.26 1.63 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -121.35 118.53 29.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.621 HG21 ' CG2' ' A' ' 65' ' ' THR . 1.9 t -78.61 140.12 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.629 ' O ' H182 ' A' ' 130' ' ' NCZ . . . 176.32 156.67 15.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.727 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.79 104.41 16.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 0.787 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.606 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 1.6 t -106.34 147.48 29.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.413 1.071 . . . . 0.0 108.266 -179.905 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.842 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -168.04 156.76 9.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.7 p-90 -68.79 104.95 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.951 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -88.32 -45.31 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.467 ' CB ' ' HB ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -90.12 -162.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.394 1.059 . . . . 0.0 109.401 179.917 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -66.46 79.83 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.56 24.58 75.22 Favored Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.404 1.065 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 86.3 t -101.56 106.81 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.631 0.842 . . . . 0.0 109.283 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.578 HD22 H173 ' A' ' 130' ' ' NCZ . 2.9 mt -58.4 96.73 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.951 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -104.1 135.85 44.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.165 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.635 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 4.0 m -108.54 149.37 28.94 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 108.193 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.564 ' OD1' ' CG ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -85.63 174.3 5.84 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.558 1.161 . . . . 0.0 109.225 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.632 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.11 -14.23 20.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.26 8.66 44.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.598 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -89.26 11.53 18.63 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.632 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.7 m-85 -106.64 96.63 6.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.497 ' OG ' HD23 ' A' ' 67' ' ' LEU . 33.1 t -138.83 70.71 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.008 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.93 118.28 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.819 HG21 ' HB ' ' A' ' 65' ' ' THR . 1.2 p -152.73 165.13 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.608 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -123.89 154.37 39.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.99 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.56 148.49 28.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -64.18 159.59 20.26 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.508 1.13 . . . . 0.0 109.185 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.04 -30.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.244 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.4 t-20 -89.23 35.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.596 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.14 42.76 4.3 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 14.9 m -109.31 97.81 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.353 0.678 . . . . 0.0 109.993 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.99 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.24 102.23 11.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.367 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.5 p -104.53 81.21 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.019 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.819 ' HB ' HG21 ' A' ' 55' ' ' VAL . 7.1 t -108.29 135.05 50.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 79.3 p -91.53 142.88 27.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.944 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.497 HD23 ' OG ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -152.08 177.1 10.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.886 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 42.1 m -106.9 124.98 50.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 110.464 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.474 HG13 HG21 ' A' ' 110' ' ' ILE . 82.5 t -87.83 85.82 2.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.126 . . . . 0.0 109.236 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.691 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 57.8 mtt-85 -100.32 75.75 1.82 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.498 1.124 . . . . 0.0 110.169 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' ARG . 7.3 ttm180 -36.17 -31.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.89 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 2.9 m -93.11 117.4 30.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.033 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.691 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -165.93 165.7 17.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 111.049 -179.92 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.55 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 2.0 tp10 -90.97 90.56 7.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -54.07 162.11 3.71 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.496 1.123 . . . . 0.0 111.069 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.663 ' CD2' ' CB ' ' A' ' 82' ' ' ARG . 60.2 m-85 -141.72 131.15 23.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.623 0.837 . . . . 0.0 111.023 -179.828 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.046 HD13 HG23 ' A' ' 81' ' ' THR . 3.6 mp -66.33 142.15 57.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.375 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -65.29 -22.98 66.91 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -55.5 33.24 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 179.902 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.43 -28.75 0.22 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.494 1.121 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' THR . . . . . 1.046 HG23 HD13 ' A' ' 77' ' ' LEU . 3.5 t -81.94 161.71 22.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 110.355 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.663 ' CB ' ' CD2' ' A' ' 76' ' ' PHE . 22.1 ptt180 -104.75 145.01 30.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.411 179.903 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.601 ' CD1' HG13 ' A' ' 40' ' ' VAL . 32.3 t-105 -106.6 -86.33 0.49 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.622 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 140.57 -98.85 0.24 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.61 1.194 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.622 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 61.2 m 84.81 -49.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.612 0.831 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.568 HG12 ' N ' ' A' ' 87' ' ' ASP . 96.0 t 71.22 -103.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.568 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -61.59 105.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -89.03 79.07 7.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 108.353 179.939 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.7 t -106.85 -32.43 7.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 110.433 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.3 m -89.11 -58.44 2.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -70.87 103.24 2.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.424 1.078 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.03 102.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.405 1.066 . . . . 0.0 109.267 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.842 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 5.0 m -83.92 126.78 33.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 108.355 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.544 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 27.6 mt-30 -105.56 117.18 33.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.727 HG22 ' HB3' ' A' ' 36' ' ' GLN . 1.5 t -87.0 119.84 35.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.426 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -164.35 174.4 40.41 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.586 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -96.63 122.33 39.44 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.56 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 97.9 p -101.46 167.32 10.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.605 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -76.38 160.15 29.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.84 1.69 53.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.369 1.043 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.53 -73.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.22 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.38 40.43 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -128.03 148.43 50.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.77 . . . . 0.0 109.356 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.07 108.42 1.54 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.403 ' CD ' ' HA ' ' A' ' 98' ' ' SER . 18.4 Cg_endo -74.97 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.791 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.98 143.36 35.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -134.71 171.91 22.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.623 ' O ' HG13 ' A' ' 108' ' ' VAL . 3.4 p -95.0 105.1 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.558 0.799 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.02 81.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.245 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.807 HG23 HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -75.85 145.15 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.588 1.18 . . . . 0.0 109.246 -179.93 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.68 ' H ' HD13 ' A' ' 110' ' ' ILE . 2.4 p 152.56 -75.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.044 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.463 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 34.1 p90 -158.81 168.17 27.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.068 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.471 ' N ' ' HB2' ' A' ' 11' ' ' SER . 48.8 t-20 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.635 ' C10' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.601 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -140.26 55.11 5.85 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.601 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.6 Cg_endo -74.96 54.27 3.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.513 1.796 . . . . 0.0 111.102 179.865 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.457 ' HB ' HD22 ' A' ' 26' ' ' LEU . 29.2 p 41.83 -124.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.37 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.604 ' N ' HD23 ' A' ' 26' ' ' LEU . . . -90.45 119.52 30.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.219 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.828 ' C ' HG13 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -146.08 144.7 30.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.6 1.188 . . . . 0.0 110.366 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.946 HG12 ' CG2' ' A' ' 19' ' ' VAL . 1.4 t -76.7 142.42 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.463 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.34 -54.0 1.2 Allowed Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.611 1.194 . . . . 0.0 110.489 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.928 ' CD ' HG21 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.08 -164.25 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.485 ' O ' HD11 ' A' ' 13' ' ' LEU . 1.9 t -151.34 -61.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.984 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.547 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 43.7 t -133.78 162.15 32.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.621 1.2 . . . . 0.0 110.099 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.14 25.38 59.69 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 111.083 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.541 HD13 HG13 ' A' ' 110' ' ' ILE . 2.4 mp -77.25 175.65 9.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.43 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.4 t -132.56 159.39 39.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.052 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 7.1 t70 -65.94 60.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.593 1.183 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 158.59 32.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.1 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' VAL . 16.0 m -91.51 102.32 14.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 110.434 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 7.5 p -102.89 129.48 54.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.946 ' CG2' HG12 ' A' ' 7' ' ' VAL . 35.4 m -151.82 -156.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 3.2 pttm -114.98 133.65 55.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.908 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.828 HG13 ' C ' ' A' ' 6' ' ' THR . 22.4 t -107.09 114.08 45.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.84 135.56 33.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.379 1.049 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.541 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -107.96 79.75 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 2' ' ' ALA . . . -76.18 92.82 3.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 0.75 . . . . 0.0 109.178 -179.907 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.36 34.14 7.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.459 1.099 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.676 HD11 HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -85.39 -144.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.99 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.6 mp0 -66.37 79.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.303 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.412 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . . . -59.37 91.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.05 -18.74 56.67 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.397 1.061 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.515 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.8 -179.53 5.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 0.784 . . . . 0.0 110.353 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.51 ' HB1' ' OG1' ' A' ' 56' ' ' THR . . . -162.69 120.29 2.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.354 1.034 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE2' ' CD ' ' A' ' 27' ' ' GLN . 17.3 m-30 -118.32 -146.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.453 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 12.0 t70 -122.03 120.6 34.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.328 1.017 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.657 HG23 ' HB3' ' A' ' 97' ' ' LEU . 1.2 t -90.14 146.5 6.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.148 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.562 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 173.03 160.65 22.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.09 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.538 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.2 OUTLIER -93.18 100.56 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 0.809 . . . . 0.0 110.31 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.531 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 3.3 t -106.69 148.92 27.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 108.338 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -176.86 164.54 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.535 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 2.1 m95 -68.63 118.29 11.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 108.038 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.904 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -105.38 -42.92 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.635 ' HB2' HD11 ' A' ' 77' ' ' LEU . 5.9 t0 -79.91 -156.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.612 1.195 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -90.77 72.13 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.405 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.69 5.3 61.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.656 HG12 HD22 ' A' ' 77' ' ' LEU . 2.3 t -101.22 124.07 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 0.724 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -72.26 119.36 16.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.049 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . . . -124.79 132.21 53.37 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.592 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 56.3 m -95.86 156.95 16.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 108.261 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.46 ' O ' ' HB3' ' A' ' 51' ' ' ASP . 6.5 m-20 -84.33 162.84 50.02 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.912 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 73' ' ' PHE . 18.5 Cg_endo -75.04 -14.35 21.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.09 13.41 30.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.617 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.92 13.33 13.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.619 1.199 . . . . 0.0 109.269 -179.967 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -106.78 93.22 4.45 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.502 ' CB ' ' HG ' ' A' ' 67' ' ' LEU . 13.7 t -150.44 88.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.957 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' SER . 85.1 p -36.55 124.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 110.087 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.642 HG21 HG21 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -111.87 140.06 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.825 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.51 ' OG1' ' HB1' ' A' ' 31' ' ' ALA . 5.6 m -132.95 125.9 30.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.99 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -106.74 123.13 47.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.158 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -56.64 157.16 5.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.908 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.97 -26.2 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.612 1.195 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.443 ' N ' ' C ' ' A' ' 58' ' ' ASP . 43.2 t30 -87.92 32.14 0.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 0.0 109.38 179.86 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.52 43.76 6.36 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.411 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 19.9 m -114.57 98.61 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 0.768 . . . . 0.0 109.953 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.973 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.94 85.76 2.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.67 1.231 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.6 p -93.28 77.22 4.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.068 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.585 ' CB ' HG23 ' A' ' 55' ' ' VAL . 26.3 m -107.96 131.31 54.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 110.427 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 26.8 p -101.04 148.55 24.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.934 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.884 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -160.64 176.5 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.178 . . . . 0.0 109.351 179.925 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.884 ' H ' HD13 ' A' ' 67' ' ' LEU . 7.8 t -98.09 124.96 42.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.867 HG11 HG12 ' A' ' 110' ' ' ILE . 6.6 t -88.35 88.53 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.92 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -102.38 131.48 48.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.55 ' HD3' ' CG ' ' A' ' 112' ' ' PHE . 27.1 ttp85 -92.52 -41.22 10.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.24 -179.926 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.532 ' O ' ' CG ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -80.71 131.53 35.46 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 161.62 170.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.536 1.147 . . . . 0.0 110.915 180.0 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -83.93 131.54 34.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.16 157.05 38.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 111.082 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 6.0 m-85 -123.12 97.44 5.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.049 ' CD2' ' HB2' ' A' ' 46' ' ' ALA . 60.3 mt -79.04 173.42 12.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 109.226 -179.909 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -89.13 -33.43 17.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 111.057 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.8 -21.7 17.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.338 1.024 . . . . 0.0 109.22 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.564 ' O ' ' C ' ' A' ' 81' ' ' THR . . . -147.87 59.01 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.898 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.645 HG23 ' H ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -23.86 -92.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.622 0.836 . . . . 0.0 110.394 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.645 ' H ' HG23 ' A' ' 81' ' ' THR . 4.7 ttt180 -52.22 81.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.649 ' CD1' HG13 ' A' ' 40' ' ' VAL . 24.6 t-105 -83.56 -87.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 167.37 -129.86 1.99 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.548 1.155 . . . . 0.0 111.065 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.831 HG21 HG22 ' A' ' 40' ' ' VAL . 2.2 m 87.64 -76.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.614 0.832 . . . . 0.0 110.352 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.414 ' O ' ' HB2' ' A' ' 72' ' ' SER . 5.8 t 73.54 -7.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 85' ' ' THR . 1.1 t70 -145.53 105.27 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.428 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 39.6 t -91.0 41.46 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 108.301 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.469 ' CA ' ' HD2' ' A' ' 71' ' ' ARG . 9.9 t -86.22 -17.51 34.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.247 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.8 m -87.98 -52.85 5.04 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.563 1.164 . . . . 0.0 110.353 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.75 149.64 21.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 109.427 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.07 117.27 22.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.367 -179.915 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.405 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -84.04 122.97 29.52 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.461 1.101 . . . . 0.0 108.238 -179.941 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.538 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 8.6 mt-30 -100.81 117.85 35.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.233 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.781 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.3 t -87.15 109.84 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.379 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.467 ' C ' H183 ' A' ' 130' ' ' NCZ . . . -161.56 -178.03 35.14 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.415 1.072 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.739 ' O ' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -106.25 149.01 27.28 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.474 ' OG ' ' C5 ' ' A' ' 130' ' ' NCZ . 8.1 m -105.18 130.79 53.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 103' ' ' ASN . 0.1 OUTLIER -66.0 161.32 21.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.197 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.58 0.84 55.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -104.31 -14.16 15.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.323 179.874 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.6 56.6 4.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.074 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.43 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 35.2 m120 -117.88 144.71 45.19 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.641 0.848 . . . . 0.0 109.235 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.21 96.54 0.01 OUTLIER Glycine 0 CA--C 1.532 1.129 0 O-C-N 124.579 1.174 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.537 ' HG2' ' C2 ' ' A' ' 130' ' ' NCZ . 18.2 Cg_endo -75.03 153.62 41.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.66 1.874 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.79 108.49 19.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 0.0 110.342 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -111.07 155.12 16.3 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.781 HG12 ' O ' ' A' ' 95' ' ' VAL . 12.0 p -103.13 119.26 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 124.454 0.737 . . . . 0.0 109.441 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.28 90.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.838 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.867 HG12 HG11 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -71.06 116.74 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.348 179.932 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.547 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -77.9 65.29 3.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 110.111 179.943 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.55 ' CG ' ' HD3' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -48.21 179.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 111.051 -179.903 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 40.9 t30 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.967 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.592 ' C10' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.498 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -143.57 115.04 5.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.437 ' O ' HG23 ' A' ' 6' ' ' THR . 18.0 Cg_endo -75.04 92.22 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.547 1.814 . . . . 0.0 110.95 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.429 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.5 p 52.62 -173.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.645 1.215 . . . . 0.0 110.387 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.432 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -53.38 115.52 1.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -132.78 146.05 51.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.474 179.965 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.512 HG13 ' HB ' ' A' ' 19' ' ' VAL . 2.3 t -98.19 113.54 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.369 1.043 . . . . 0.0 109.377 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.763 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -51.42 -69.75 0.29 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.389 -179.932 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.763 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.97 55.72 4.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.591 1.837 . . . . 0.0 111.072 179.936 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.4 ' HB3' HG12 ' A' ' 7' ' ' VAL . 5.7 p -87.85 16.58 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.055 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 112' ' ' PHE . 22.3 p -114.11 137.4 51.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 13' ' ' LEU . . . 47.66 45.14 23.92 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.648 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -43.82 169.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 0.783 . . . . 0.0 109.238 -179.928 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -141.79 144.8 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.945 179.988 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -42.67 93.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 179.903 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 79.18 56.56 3.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.069 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.687 HG22 ' CG1' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -90.33 119.95 31.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 110.447 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' ' 18' ' ' VAL . 1.3 t -73.48 100.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.687 ' CG1' HG22 ' A' ' 17' ' ' THR . 5.2 m -106.97 177.63 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.087 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -117.16 115.69 25.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.407 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.5 t -89.53 91.43 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -88.71 109.36 20.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.382 1.051 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -110.06 132.88 11.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.565 1.165 . . . . 0.0 111.047 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -136.8 104.47 5.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 0.794 . . . . 0.0 109.392 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 92.41 32.83 7.94 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.515 1.135 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' ALA . 21.1 tp -99.98 -104.18 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.631 0.842 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.714 ' NE2' HD13 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -42.31 -23.94 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.523 1.14 . . . . 0.0 110.247 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . 67.53 21.28 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 106.45 -0.12 37.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 0.0 111.029 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -162.7 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 0.726 . . . . 0.0 110.289 -179.865 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.673 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -135.19 145.08 47.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.621 ' CE1' ' HA ' ' A' ' 99' ' ' ASP . 6.8 m-85 -152.43 -165.79 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -118.69 121.66 40.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.759 HG12 ' HB3' ' A' ' 53' ' ' SER . 0.3 OUTLIER -85.6 141.52 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.674 1.234 . . . . 0.0 109.283 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.74 ' O ' H182 ' A' ' 130' ' ' NCZ . . . -174.07 153.04 15.92 Favored Glycine 0 CA--C 1.532 1.139 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.608 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -91.31 71.7 6.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.683 0.873 . . . . 0.0 110.297 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.617 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 11.6 t -82.06 151.83 26.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.398 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -177.83 161.47 1.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 0.0 109.225 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 46.3 p-90 -70.23 110.62 5.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.487 1.117 . . . . 0.0 108.0 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.649 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -100.34 -47.91 11.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.488 1.117 . . . . 0.0 109.402 179.919 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.648 ' OD2' HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -80.77 -166.67 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.964 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -61.9 77.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 67.2 25.29 73.51 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 49.3 t -102.1 114.18 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.457 0.739 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.549 HD12 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -63.11 97.21 0.11 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.96 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -106.94 134.69 49.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.604 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 2.1 m -108.42 147.42 31.64 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.511 1.132 . . . . 0.0 108.251 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.638 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -79.67 163.46 58.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.613 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.5 Cg_endo -75.04 -14.55 21.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.3 7.9 45.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.373 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.541 ' CB ' ' HA3' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -88.65 15.06 8.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.912 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 14.4 m-85 -108.01 90.69 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.759 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -138.76 82.6 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.1 p -43.77 126.52 4.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 110.068 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.017 ' HB ' HD21 ' A' ' 97' ' ' LEU . 2.0 t -143.64 163.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.391 1.057 . . . . 0.0 109.359 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.673 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -140.3 151.55 45.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.449 179.973 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.918 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.82 147.77 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.073 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -62.67 159.82 15.39 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.45 -32.77 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.4 t30 -89.11 35.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.204 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.67 36.53 1.68 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.582 1.176 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 69.3 m -103.1 97.95 7.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 0.0 109.969 -179.926 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.918 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -107.17 88.83 2.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.551 1.157 . . . . 0.0 109.219 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 4.7 p -98.74 76.58 2.2 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.767 HG21 HG13 ' A' ' 55' ' ' VAL . 20.9 p -111.34 145.95 37.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.575 ' O ' HD22 ' A' ' 67' ' ' LEU . 55.5 p -96.52 148.79 22.46 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.441 1.088 . . . . 0.0 109.939 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -148.61 160.21 43.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.344 179.899 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.445 HG23 ' CG ' ' A' ' 70' ' ' ARG . 11.0 t -95.72 129.18 43.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.138 . . . . 0.0 110.432 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.928 HG11 HD12 ' A' ' 110' ' ' ILE . 60.5 t -86.78 88.99 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.59 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 12.0 mtp180 -88.15 63.67 7.35 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 70' ' ' ARG . 25.1 ttp180 -31.57 -40.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 179.922 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 31.2 p -86.16 108.9 18.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.149 . . . . 0.0 109.938 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.638 ' CE2' ' OD1' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -157.0 165.47 36.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 179.93 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -95.48 82.51 3.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.225 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -46.13 158.02 0.37 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.464 1.102 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -136.43 123.56 21.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 110.99 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.928 HD13 HG23 ' A' ' 81' ' ' THR . 2.5 mp -57.36 151.63 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.382 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -26.6 62.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -55.34 -50.9 68.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.919 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.68 -28.77 0.55 Allowed Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.945 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.928 HG23 HD13 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -80.87 147.59 30.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 110.452 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -85.86 145.0 27.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.355 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.649 ' CD1' HG13 ' A' ' 40' ' ' VAL . 57.6 t-105 -105.11 -86.76 0.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.022 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.609 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 144.07 -106.86 0.43 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.609 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 6.6 m 90.38 -52.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 0.819 . . . . 0.0 110.459 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.556 HG12 ' N ' ' A' ' 87' ' ' ASP . 89.2 t 68.74 -104.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.556 ' N ' HG12 ' A' ' 86' ' ' VAL . 27.3 t0 -62.66 97.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.61 1.193 . . . . 0.0 109.248 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 8.8 t -79.94 64.59 4.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.3 t -103.66 -22.17 13.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 91' ' ' ALA . 8.9 t -89.2 -51.0 5.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 110.343 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.467 ' N ' HG23 ' A' ' 90' ' ' THR . . . -89.54 150.98 22.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -90.43 120.83 31.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.632 1.207 . . . . 0.0 109.241 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.21 122.2 33.63 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.545 1.153 . . . . 0.0 108.262 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.547 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 33.9 mt-30 -97.97 108.63 21.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.137 . . . . 0.0 110.232 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.608 HG22 ' HB3' ' A' ' 36' ' ' GLN . 1.3 t -90.05 128.19 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.229 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.513 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . 178.2 171.88 42.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.394 1.059 . . . . 0.0 110.989 179.91 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.017 HD21 ' HB ' ' A' ' 55' ' ' VAL . 0.8 OUTLIER -94.23 128.67 40.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 0.727 . . . . 0.0 109.302 179.886 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.6 p -96.43 159.49 14.92 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.526 1.141 . . . . 0.0 110.07 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.621 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -88.37 157.23 18.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 109.199 -179.875 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.4 6.12 46.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -100.3 -16.98 17.5 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.23 51.77 3.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.112 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 105' ' ' PRO . 23.9 m120 -111.11 144.14 40.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.79 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -33.3 94.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.55 1.156 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.562 ' HG2' ' C1 ' ' A' ' 130' ' ' NCZ . 18.2 Cg_endo -75.07 111.44 3.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.48 142.39 37.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -141.25 173.42 23.35 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.503 HG21 ' H ' ' A' ' 7' ' ' VAL . 11.8 p -104.93 132.17 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.76 91.5 1.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.928 HD12 HG11 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -83.69 137.62 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.208 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.4 t 156.86 -69.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.486 1.116 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 12.1 t80 -138.57 151.24 47.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.364 1.04 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.8 t30 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.367 179.952 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.74 H182 ' O ' ' A' ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.519 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.627 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . 174.9 64.77 0.05 OUTLIER Pre-proline 0 C--N 1.323 -0.577 0 O-C-N 124.528 1.143 . . . . 0.0 109.207 179.915 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.576 ' O ' HG23 ' A' ' 6' ' ' THR . 18.4 Cg_endo -75.12 92.84 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.582 1.833 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.922 ' HB ' HD13 ' A' ' 26' ' ' LEU . 30.6 p 46.94 -159.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.67 1.231 . . . . 0.0 110.402 179.859 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.8 ' HB2' HD22 ' A' ' 26' ' ' LEU . . . -58.97 114.92 2.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -140.18 145.08 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.63 1.206 . . . . 0.0 110.326 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.033 HG12 ' HD2' ' A' ' 9' ' ' PRO . 4.7 t -79.83 130.66 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.602 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -39.19 -61.76 0.91 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.614 1.196 . . . . 0.0 110.387 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.033 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.94 -155.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.451 ' HB3' ' N ' ' A' ' 113' ' ' ASN . 1.0 OUTLIER -151.84 -34.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.971 179.904 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 111' ' ' SER . 0.4 OUTLIER -83.28 37.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.998 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -92.88 19.72 49.99 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.501 1.126 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.627 HD12 ' N ' ' A' ' 14' ' ' SER . 1.8 pp -35.23 -47.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 0.808 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.627 ' N ' HD12 ' A' ' 13' ' ' LEU . 9.4 t -154.92 -124.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.501 1.126 . . . . 0.0 110.054 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER 42.74 34.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 37.49 55.75 1.63 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.828 ' O ' HG12 ' A' ' 69' ' ' VAL . 3.7 m -69.5 105.0 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 -179.889 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.788 HG22 ' OG1' ' A' ' 68' ' ' THR . 5.1 t -94.77 122.46 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.902 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -151.68 -167.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.175 -179.883 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 2.6 mttt -107.37 140.95 39.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.421 179.849 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 6' ' ' THR . 64.6 t -114.41 103.69 15.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.09 127.13 35.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -109.46 94.28 0.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.678 1.236 . . . . 0.0 110.948 -179.917 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -90.93 110.52 21.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.578 0.81 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.82 32.41 29.93 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.599 1.187 . . . . 0.0 111.129 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.922 HD13 ' HB ' ' A' ' 4' ' ' THR . 10.9 tp -99.33 -138.08 0.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.991 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.6 mp0 -52.21 90.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -60.08 84.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 73.43 15.05 79.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.421 1.076 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.528 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.6 -178.44 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 0.822 . . . . 0.0 110.481 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.737 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -144.68 103.12 3.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.383 179.873 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.716 ' HB2' HD12 ' A' ' 97' ' ' LEU . 12.4 m-30 -114.17 170.18 8.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.5 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -90.91 112.41 24.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 179.977 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.663 HG23 ' HB3' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -74.29 144.52 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.182 . . . . 0.0 109.192 -179.918 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.639 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 169.24 161.67 20.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 111.068 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.807 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -98.43 107.41 19.86 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.393 0.702 . . . . 0.0 110.387 179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.564 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 2.3 t -108.0 152.82 23.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 108.335 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.653 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -172.6 165.26 5.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 109.264 179.935 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.526 ' CZ3' ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -78.69 117.9 20.26 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.623 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.9 OUTLIER -106.99 -47.55 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.239 -179.939 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.6 ' OD2' ' CZ2' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -87.99 -175.45 5.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.401 1.063 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.653 ' O ' HG23 ' A' ' 44' ' ' VAL . 46.9 m -50.33 92.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 49.76 23.16 4.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.059 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 42' ' ' THR . 53.3 t -98.35 117.23 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.6 0.824 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -69.67 105.48 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -113.51 134.86 54.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.373 1.046 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.568 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 42.5 m -97.66 155.94 16.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 108.155 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.474 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -85.57 167.0 27.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.163 . . . . 0.0 109.25 -179.944 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.64 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.0 Cg_endo -75.05 -11.39 21.38 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.546 1.814 . . . . 0.0 110.937 -179.902 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.48 12.26 31.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.36 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.639 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -89.47 6.75 39.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.067 . . . . 0.0 109.362 179.943 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -105.99 93.02 4.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 111.037 179.938 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.476 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -149.68 85.24 1.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.617 1.198 . . . . 0.0 109.944 -179.884 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 55' ' ' VAL . 28.5 t -35.31 140.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 110.058 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.068 HG13 HG21 ' A' ' 65' ' ' THR . 2.7 t -155.4 144.74 12.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.479 1.112 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.737 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -132.21 146.21 51.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 110.379 -179.927 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.994 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -105.98 143.78 33.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -63.07 158.37 19.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.41 -29.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 58' ' ' ASP . 20.6 t30 -88.4 34.72 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.91 40.21 3.09 Favored Glycine 0 CA--C 1.528 0.873 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 3.4 m -105.56 100.25 9.83 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.356 0.68 . . . . 0.0 109.959 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.994 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -104.95 85.46 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.414 179.867 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 p -95.83 74.76 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 -179.941 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 65' ' ' THR . . . . . 1.068 HG21 HG13 ' A' ' 55' ' ' VAL . 82.2 p -110.03 136.39 49.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.972 ' O ' HD22 ' A' ' 67' ' ' LEU . 63.7 p -105.69 143.43 33.85 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.405 1.066 . . . . 0.0 110.036 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.972 HD22 ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -160.11 -174.52 4.59 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.788 ' OG1' HG22 ' A' ' 18' ' ' VAL . 63.4 m -108.26 126.49 52.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 17' ' ' THR . 4.5 p -89.22 92.42 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.468 ' N ' ' OE1' ' A' ' 36' ' ' GLN . 4.2 mmt180 -96.04 125.63 40.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 22.2 ttp180 -91.43 -39.98 11.68 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.351 1.032 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 13.6 p -85.02 131.78 34.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.049 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.512 ' HB3' ' CG ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 161.78 -177.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.952 -179.962 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.489 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 2.5 tt0 -91.34 107.19 19.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.418 ' HA3' ' OG1' ' A' ' 85' ' ' THR . . . -88.72 167.75 35.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -135.46 132.89 37.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.727 . . . . 0.0 111.032 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.532 ' CD1' ' HB2' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -53.11 176.2 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.585 1.178 . . . . 0.0 109.356 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -82.79 -27.07 31.23 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.574 1.171 . . . . 0.0 111.084 179.909 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.452 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -61.42 -57.89 10.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.49 -27.54 0.25 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -73.06 146.29 45.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 0.817 . . . . 0.0 110.404 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.432 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 23.8 ptt180 -81.61 139.27 35.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 -179.892 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.623 ' CD1' HG13 ' A' ' 40' ' ' VAL . 60.6 t-105 -97.06 -88.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 108.03 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.489 ' O ' ' HA ' ' A' ' 74' ' ' GLU . . . 173.04 -57.3 0.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 87' ' ' ASP . 61.8 m 69.95 -62.37 0.43 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.406 0.71 . . . . 0.0 110.488 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 72' ' ' SER . 57.6 t 66.24 -67.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 179.879 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 85' ' ' THR . 0.5 OUTLIER -143.79 96.2 2.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.4 1.063 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 4.0 t -68.33 67.23 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 108.259 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 87' ' ' ASP . 9.7 t -106.31 -12.87 15.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.044 . . . . 0.0 110.445 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 91' ' ' ALA . 10.0 t -89.24 -55.01 3.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.01 130.78 36.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.75 115.06 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.343 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.653 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -81.94 124.08 29.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 108.352 179.913 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.49 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.9 pt20 -101.59 123.36 45.48 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.411 1.069 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.807 HG22 ' HG2' ' A' ' 36' ' ' GLN . 44.0 t -87.44 114.89 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.576 1.172 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.491 ' O ' H183 ' A' ' 130' ' ' NCZ . . . -163.16 170.12 38.51 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.777 HD21 ' CD2' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -107.52 133.39 52.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.6 p -103.3 154.93 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.507 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -64.23 160.71 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 -179.952 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.38 -3.08 38.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.235 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.08 -87.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -173.35 37.12 0.13 Allowed Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.439 1.087 . . . . 0.0 110.99 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.437 ' HA ' ' H16' ' A' ' 130' ' ' NCZ . 0.6 OUTLIER -147.87 151.4 35.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.233 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.532 ' O ' ' C2 ' ' A' ' 130' ' ' NCZ . . . 177.68 66.22 0.06 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.521 1.138 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 1.68 7.48 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.523 1.802 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.31 149.89 27.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 140.74 147.97 5.04 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 -179.922 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.3 p -104.41 128.76 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.431 0.724 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.09 90.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.769 HG21 HG21 ' A' ' 69' ' ' VAL . 1.5 tp -81.08 159.61 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.454 ' O ' HD23 ' A' ' 13' ' ' LEU . 4.4 p 167.31 -71.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.573 1.171 . . . . 0.0 110.01 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 27.6 p90 -157.17 118.63 3.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.451 ' N ' ' HB3' ' A' ' 10' ' ' SER . 20.8 t-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.568 ' C10' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.788 ' O ' ' CB ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.788 ' CB ' ' O ' ' A' ' 1' ' ' ALA . . . 134.43 -40.31 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.372 1.045 . . . . 0.0 109.355 179.875 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.698 ' CD ' ' N ' ' A' ' 2' ' ' ALA . 18.5 Cg_endo -74.97 60.46 5.43 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.44 1.758 . . . . 0.0 110.996 179.9 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.62 ' HB ' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER 57.25 -164.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.335 179.927 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.918 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -74.23 127.49 33.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -137.08 143.78 42.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.406 1.066 . . . . 0.0 110.382 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.953 ' HB ' HD11 ' A' ' 110' ' ' ILE . 3.5 t -88.32 113.11 24.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.563 1.165 . . . . 0.0 109.307 179.899 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.732 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -51.27 -68.7 0.36 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.95 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.732 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.05 52.24 3.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.753 ' HA ' HD23 ' A' ' 13' ' ' LEU . 79.9 p -87.4 -0.55 56.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 112' ' ' PHE . 51.1 p -93.2 128.18 39.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.065 179.904 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 41.16 47.92 4.39 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.999 HD21 HG23 ' A' ' 110' ' ' ILE . 0.8 OUTLIER -73.16 173.35 9.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 0.729 . . . . 0.0 109.266 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 69' ' ' VAL . 1.6 t -135.85 153.19 51.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.051 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.421 ' HA ' ' HA ' ' A' ' 70' ' ' ARG . 29.9 p-10 -61.19 99.24 0.09 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.45 ' HA2' ' CG2' ' A' ' 68' ' ' THR . . . 112.99 24.62 4.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.34 126.32 39.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 0.751 . . . . 0.0 110.429 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -72.83 115.68 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.95 ' HB ' HG13 ' A' ' 7' ' ' VAL . 5.1 m -120.7 162.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.328 1.017 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.68 115.73 29.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.918 HG12 ' HB1' ' A' ' 5' ' ' ALA . 1.4 t -91.47 91.04 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.61 112.15 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.496 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -110.84 139.9 15.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.436 1.085 . . . . 0.0 111.077 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.767 ' HB3' ' HA ' ' A' ' 2' ' ' ALA . . . -145.04 118.7 9.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.28 -179.932 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 85.78 9.53 77.81 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.938 ' HG ' HD11 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -71.41 -107.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.865 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 17.2 mm-40 -49.79 -21.44 1.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.43 1.081 . . . . 0.0 110.245 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.436 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 64.13 17.01 10.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 124.74 -8.27 8.22 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.579 1.174 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.487 HG22 ' H ' ' A' ' 31' ' ' ALA . 1.3 m -80.87 -161.42 0.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 0.757 . . . . 0.0 110.474 179.933 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.534 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -143.53 122.37 12.69 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.817 ' HB2' HD12 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -123.84 176.24 6.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.409 1.068 . . . . 0.0 111.025 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.495 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 15.2 t0 -100.94 126.39 47.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.598 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -86.06 139.82 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.445 179.898 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.558 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 173.41 148.93 6.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.095 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.744 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -91.97 108.71 20.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.566 0.804 . . . . 0.0 110.348 179.912 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.586 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 2.1 t -108.14 149.36 28.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 108.299 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -174.01 154.72 2.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.5 p-90 -62.15 115.47 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.981 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -98.17 -42.02 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.453 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -84.23 -154.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.74 ' O ' HG23 ' A' ' 42' ' ' THR . 6.6 t -75.77 56.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.453 179.901 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.46 1.16 57.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.455 1.097 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 21.1 t -78.97 113.61 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.426 0.721 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 104.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.388 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.981 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -114.71 134.89 54.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.366 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.62 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 31.8 m -101.48 156.06 17.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 108.339 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.734 ' ND2' ' CD2' ' A' ' 73' ' ' PHE . 3.6 m-20 -85.7 165.73 33.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.606 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.04 -9.86 20.9 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.461 1.769 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.66 14.01 29.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.558 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.92 7.39 31.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.237 -179.917 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.606 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 2.2 m-85 -105.79 90.33 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.065 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.581 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -145.73 84.01 1.66 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.123 . . . . 0.0 109.987 179.957 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 53' ' ' SER . 14.5 t -33.15 143.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.686 HG21 HG21 ' A' ' 65' ' ' THR . 1.3 p -152.05 149.71 13.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.223 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.534 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -137.03 138.82 40.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.43 179.982 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.952 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -105.69 136.72 44.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 1.045 . . . . 0.0 109.394 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.646 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -58.65 162.31 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -36.99 -37.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -87.85 38.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.367 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.646 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.58 38.95 1.63 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.47 1.106 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -93.99 93.58 7.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 0.79 . . . . 0.0 109.992 179.964 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.952 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.29 79.85 1.43 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.455 1.097 . . . . 0.0 109.225 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 p -91.44 77.66 5.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.065 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.686 HG21 HG21 ' A' ' 55' ' ' VAL . 3.8 t -109.18 146.05 34.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.359 1.037 . . . . 0.0 110.348 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.507 ' O ' HD22 ' A' ' 67' ' ' LEU . 28.0 p -106.32 149.34 27.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.507 HD22 ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -152.53 174.6 13.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.45 ' CG2' ' HA2' ' A' ' 16' ' ' GLY . 52.3 m -106.42 135.46 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.358 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.932 HG11 HD22 ' A' ' 13' ' ' LEU . 25.1 t -88.73 90.91 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.602 1.189 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' ARG . 1.2 mtt180 -100.87 69.59 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 110.232 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -36.01 -38.32 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.609 1.193 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 9.8 p -79.52 110.41 14.8 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.734 ' CD2' ' ND2' ' A' ' 48' ' ' ASN . 8.2 p90 -157.82 147.77 20.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.474 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 58.8 tt0 -80.44 79.05 7.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.797 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -37.79 150.65 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.105 . . . . 0.0 111.049 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.549 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -137.02 117.4 13.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.578 0.81 . . . . 0.0 110.985 179.945 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.868 HD12 ' CG2' ' A' ' 81' ' ' THR . 6.8 mt -56.78 124.61 19.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -55.66 -25.57 40.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 111.049 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -52.48 -48.9 65.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.384 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.0 -24.54 0.48 Allowed Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.517 1.136 . . . . 0.0 111.074 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.868 ' CG2' HD12 ' A' ' 77' ' ' LEU . 10.7 t -89.6 145.57 25.17 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.427 0.722 . . . . 0.0 110.461 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -94.49 142.59 27.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.245 -179.891 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.751 ' HB2' HD21 ' A' ' 77' ' ' LEU . 67.5 t-105 -104.91 -89.07 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 107.989 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.597 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 141.44 -106.19 0.46 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.533 1.146 . . . . 0.0 110.8 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.597 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 58.0 m 82.29 -50.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 0.748 . . . . 0.0 110.392 -179.899 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.546 HG12 ' N ' ' A' ' 87' ' ' ASP . 93.5 t 69.08 -103.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.546 ' N ' HG12 ' A' ' 86' ' ' VAL . 8.8 t0 -49.58 95.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 40.5 t -81.81 52.7 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 108.201 -179.922 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.9 t -93.5 -22.53 18.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 m -88.55 -50.91 5.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.401 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -89.39 149.74 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.233 -179.877 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.448 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -88.79 118.32 28.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.419 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -90.63 122.04 33.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.608 1.192 . . . . 0.0 108.237 -179.929 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.514 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 29.5 mt-30 -94.37 112.43 24.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.815 ' HB ' HD13 ' A' ' 110' ' ' ILE . 36.9 t -87.86 114.74 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -165.72 175.73 41.33 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.938 HD11 ' HG ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -106.47 124.16 49.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.804 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.525 ' HB3' ' C7 ' ' A' ' 130' ' ' NCZ . 80.6 p -97.16 167.09 11.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.389 1.055 . . . . 0.0 109.932 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.639 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -76.13 160.81 29.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.29 -4.51 30.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.18 -29.96 17.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.8 46.52 2.08 Favored Glycine 0 CA--C 1.532 1.134 0 O-C-N 124.453 1.095 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 70.5 m-80 -148.28 161.54 41.3 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.467 0.746 . . . . 0.0 109.202 -179.888 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.62 100.94 2.57 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.613 1.196 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.576 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.3 Cg_endo -74.93 50.06 2.4 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.434 1.755 . . . . 0.0 110.962 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.851 ' O ' H181 ' A' ' 130' ' ' NCZ . 1.0 OUTLIER -91.3 119.72 31.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.93 148.94 7.92 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.342 1.026 . . . . 0.0 111.075 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.808 HG13 HD12 ' A' ' 110' ' ' ILE . 14.6 p -97.77 137.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.56 94.31 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.614 1.196 . . . . 0.0 109.366 179.872 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.999 HG23 HD21 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -79.26 139.79 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.2 t 149.14 -82.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.957 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.57 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 1.7 p90 -143.38 127.94 18.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 31.1 t30 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.98 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.851 H181 ' O ' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.39 71.24 1.65 Allowed Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.542 ' HD2' ' HB3' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.97 -16.96 20.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.391 1.732 . . . . 0.0 111.033 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.719 ' HB ' HD22 ' A' ' 26' ' ' LEU . 1.3 p 54.94 -145.89 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.221 179.93 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.649 ' HB2' HD21 ' A' ' 97' ' ' LEU . . . -77.11 122.39 24.92 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.2 p -143.8 144.93 32.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.465 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.993 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.7 t -76.94 134.12 29.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.217 -179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.559 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -41.69 -59.65 2.35 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 -179.956 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.993 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.11 -160.89 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.453 ' HB2' ' CA ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -135.52 -44.85 0.68 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 -179.957 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -80.74 68.18 6.89 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.945 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -61.3 -9.67 17.71 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.924 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.927 ' O ' HD12 ' A' ' 13' ' ' LEU . 4.2 pp -67.87 61.25 0.07 Allowed 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.498 0.763 . . . . 0.0 109.334 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -136.75 127.33 26.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.912 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 14' ' ' SER . 11.9 p-10 -33.78 94.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.58 1.175 . . . . 0.0 109.382 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 51.31 68.53 1.47 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.438 1.086 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.521 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 2.1 m -69.58 109.54 4.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.462 0.742 . . . . 0.0 110.377 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.717 HG22 HG23 ' A' ' 68' ' ' THR . 3.5 t -89.34 118.33 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.961 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -150.2 -171.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.927 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -113.01 137.15 51.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.943 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 6' ' ' THR . 86.0 t -110.78 105.16 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.98 130.01 35.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.49 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -105.84 109.12 3.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.127 . . . . 0.0 111.07 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.542 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . . . -92.99 110.78 22.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 0.79 . . . . 0.0 109.387 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.76 40.95 99.01 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.719 HD22 ' HB ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -86.13 -122.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 0.752 . . . . 0.0 109.373 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.686 ' N ' HD12 ' A' ' 26' ' ' LEU . 7.4 mm-40 -41.71 -24.48 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.461 1.1 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.523 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 56.95 56.34 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 93.73 -27.86 11.58 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.636 HG22 ' H ' ' A' ' 31' ' ' ALA . 2.7 m -65.3 -159.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 0.773 . . . . 0.0 110.441 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.905 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -153.28 129.24 10.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 109.271 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.746 ' CE1' ' HA ' ' A' ' 99' ' ' ASP . 1.5 m-30 -132.36 -167.63 1.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 111.021 179.918 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -117.81 117.74 30.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.855 HG21 HG21 ' A' ' 65' ' ' THR . 2.0 t -77.36 150.39 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.12 . . . . 0.0 109.234 -179.881 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.74 ' O ' H182 ' A' ' 130' ' ' NCZ . . . 169.77 148.5 5.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.686 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -92.3 82.86 4.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.342 0.672 . . . . 0.0 110.32 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.591 ' HB3' ' C1 ' ' A' ' 130' ' ' NCZ . 10.1 t -92.73 151.59 19.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.19 -179.899 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -171.42 171.78 5.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.466 ' CD1' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -77.21 122.49 25.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.995 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.571 HG23 ' HA ' ' A' ' 85' ' ' THR . 6.2 p -101.65 -49.07 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.203 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.496 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -89.52 -159.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -81.47 91.83 6.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.855 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.31 8.5 75.28 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.542 1.151 . . . . 0.0 111.044 -179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.496 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 6.4 t -96.48 112.25 28.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.628 0.84 . . . . 0.0 109.242 -179.951 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.795 HD21 ' H1 ' ' A' ' 130' ' ' NCZ . 0.7 OUTLIER -75.32 120.49 20.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.934 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . . . -130.4 143.01 50.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.622 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 3.7 m -110.75 149.59 30.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.212 -179.876 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.579 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -82.51 171.94 10.67 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.943 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.53 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -74.88 -10.07 21.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.307 1.688 . . . . 0.0 111.051 179.903 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.23 13.56 32.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.607 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -89.03 9.22 26.03 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 9.0 m-85 -106.52 98.8 8.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.47 ' HB3' HG12 ' A' ' 34' ' ' VAL . 47.3 t -144.97 79.02 1.58 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.42 1.075 . . . . 0.0 109.961 -179.915 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.6 p -56.5 126.59 27.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.431 1.082 . . . . 0.0 109.987 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.744 HG21 ' HB ' ' A' ' 65' ' ' THR . 9.8 p -154.69 161.26 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.905 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -124.9 148.73 48.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.975 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -92.78 137.43 32.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.431 1.082 . . . . 0.0 109.401 179.844 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER -64.52 160.75 18.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.24 -37.89 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.38 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -87.96 38.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.41 1.069 . . . . 0.0 109.359 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.642 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.95 37.44 1.39 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.49 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 49.4 m -96.62 99.89 11.49 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.42 0.717 . . . . 0.0 109.926 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -102.9 87.15 2.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.8 p -95.62 81.2 3.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.077 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.855 HG21 HG21 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -107.76 133.54 52.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.922 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 34.4 p -92.74 138.36 31.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.944 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.864 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -153.66 167.45 29.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.864 ' H ' HD13 ' A' ' 67' ' ' LEU . 51.1 m -106.65 141.97 37.05 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.431 1.082 . . . . 0.0 110.442 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 17' ' ' THR . 21.8 t -88.18 87.37 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.382 1.051 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -87.02 72.6 10.04 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.512 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 4.6 ttm180 -45.69 -36.06 4.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.636 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 17.2 p -104.08 128.31 51.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.04 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 72' ' ' SER . 0.4 OUTLIER 160.58 126.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.427 1.079 . . . . 0.0 111.029 -179.943 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.675 ' CB ' HG23 ' A' ' 86' ' ' VAL . 17.1 tt0 -80.28 122.57 27.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -111.5 -140.19 8.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.423 1.077 . . . . 0.0 110.889 -179.878 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 47' ' ' CYS . 42.2 p90 -130.77 150.61 51.86 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.45 0.735 . . . . 0.0 110.951 -179.907 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.507 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 1.3 mt -88.15 175.47 7.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.401 179.887 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -60.1 -27.97 67.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 111.064 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.04 -59.66 2.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.112 . . . . 0.0 109.257 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.66 -27.92 0.2 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.499 ' HB ' HD12 ' A' ' 77' ' ' LEU . 32.1 m -40.25 130.43 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 0.781 . . . . 0.0 110.434 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -75.51 74.01 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.972 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.663 ' O ' ' N ' ' A' ' 75' ' ' GLY . 1.9 t90 -112.99 -79.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.661 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 55.8 132.69 0.01 OUTLIER Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.661 ' C ' ' O ' ' A' ' 84' ' ' GLY . 8.4 m 11.88 -81.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 0.712 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.675 HG23 ' CB ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER 86.26 -42.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.597 1.186 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -153.8 91.59 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.609 1.193 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.512 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -80.55 53.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.359 1.037 . . . . 0.0 108.295 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.5 t -92.46 -5.95 50.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 m -144.7 -46.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.433 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.86 135.03 43.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.378 1.049 . . . . 0.0 109.247 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.766 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -80.96 126.5 31.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.228 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.84 123.76 34.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.29 179.935 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.591 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 31.3 mt-30 -94.19 103.09 15.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.686 HG22 ' HB3' ' A' ' 36' ' ' GLN . 2.0 t -87.45 114.74 26.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 124.534 1.146 . . . . 0.0 109.197 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -166.1 171.27 41.13 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.77 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -98.47 120.96 39.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 0.818 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 104' ' ' GLY . 3.9 m -106.84 170.59 7.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.043 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.746 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -51.75 164.88 0.21 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.604 1.19 . . . . 0.0 109.233 -179.926 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.47 -30.75 42.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.0 10.99 14.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.561 1.163 . . . . 0.0 109.207 -179.934 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 99' ' ' ASP . . . 66.15 33.33 84.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.954 179.904 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.542 ' HA ' ' C15' ' A' ' 130' ' ' NCZ . 66.4 m-20 -102.88 156.73 17.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.4 ' O ' ' OG ' ' A' ' 98' ' ' SER . . . 101.99 121.43 4.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.394 1.059 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 49.62 2.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.569 1.826 . . . . 0.0 111.046 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.808 ' O ' H181 ' A' ' 130' ' ' NCZ . 0.3 OUTLIER -91.49 121.22 33.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 180.0 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.408 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . 151.07 154.82 6.67 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 p -106.2 139.81 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.234 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.766 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -74.49 90.34 2.2 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.5 ' O ' ' CB ' ' A' ' 111' ' ' SER . 2.3 tp -90.17 153.3 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.756 ' O ' HD23 ' A' ' 13' ' ' LEU . 1.6 m 159.95 -55.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.006 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.487 ' O ' ' CG ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -148.16 118.3 7.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 111.063 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.453 ' CA ' ' HB2' ' A' ' 10' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.808 H181 ' O ' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.672 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -154.23 50.55 0.56 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.242 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.941 ' HG2' HG21 ' A' ' 6' ' ' THR . 18.4 Cg_endo -75.06 77.03 3.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 111.078 179.925 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.632 ' HB ' HD22 ' A' ' 26' ' ' LEU . 25.4 p 40.7 -122.61 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.471 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -85.54 127.69 34.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 109.329 -179.909 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.941 HG21 ' HG2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -149.8 143.38 25.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.613 1.195 . . . . 0.0 110.346 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.895 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.0 t -74.49 130.79 35.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.49 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.12 -55.94 1.27 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 0.0 110.363 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.895 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.97 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.605 1.845 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 m -137.55 -52.91 0.66 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 111' ' ' SER . 88.3 p -77.54 90.37 3.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.419 1.074 . . . . 0.0 109.938 -179.926 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.531 ' CA ' HG11 ' A' ' 69' ' ' VAL . . . -65.79 -4.64 20.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.106 . . . . 0.0 111.052 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 111' ' ' SER . 1.0 OUTLIER -72.53 54.08 0.32 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 0.759 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -130.52 121.15 25.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.93 179.968 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' A' ' 14' ' ' SER . 1.8 t70 -34.61 93.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.332 179.905 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 40.51 69.72 0.45 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.401 1.063 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.48 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.3 OUTLIER -75.4 122.36 23.68 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.449 0.735 . . . . 0.0 110.404 -179.956 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.747 HG13 ' OG1' ' A' ' 68' ' ' THR . 1.9 t -94.16 121.97 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.741 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -148.2 -171.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -119.55 136.05 54.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.902 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.709 ' HB ' HG23 ' A' ' 65' ' ' THR . 2.7 t -99.96 113.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -87.67 127.23 35.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.212 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.753 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -103.86 109.0 3.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 0.0 111.058 179.862 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.427 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . . . -107.43 89.98 3.16 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.48 0.753 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.94 32.4 6.5 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.632 HD22 ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -88.89 -136.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 0.785 . . . . 0.0 109.369 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.996 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 7.3 mm-40 -61.46 91.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.29 81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.375 1.047 . . . . 0.0 109.193 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 82.52 4.83 89.97 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.411 1.07 . . . . 0.0 111.074 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.555 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -89.88 -178.21 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 0.807 . . . . 0.0 110.341 -179.934 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.696 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -141.51 112.65 7.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.434 1.084 . . . . 0.0 109.203 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.763 ' HB2' HD12 ' A' ' 97' ' ' LEU . 6.8 m-30 -116.62 -169.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.485 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -118.93 114.67 22.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.751 HG21 HG21 ' A' ' 65' ' ' THR . 2.5 t -73.9 146.97 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.649 ' O ' H182 ' A' ' 130' ' ' NCZ . . . 170.08 149.99 6.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.713 ' HG3' HG13 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -92.54 100.0 12.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.634 0.844 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.628 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 3.9 t -106.27 168.98 8.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 108.329 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 167.94 162.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 109.376 -179.95 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 14.3 p90 -75.24 109.7 8.96 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.954 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.649 HG21 ' CD1' ' A' ' 83' ' ' TRP . 8.8 p -86.84 -52.33 11.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.515 ' N ' HG13 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -89.53 -169.61 2.54 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.33 1.019 . . . . 0.0 109.231 -179.938 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.499 ' O ' HG23 ' A' ' 44' ' ' VAL . 17.2 m -59.89 94.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.47 18.57 30.44 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.533 1.146 . . . . 0.0 110.914 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.602 HG11 HD22 ' A' ' 77' ' ' LEU . 48.6 t -92.53 105.77 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.419 0.717 . . . . 0.0 109.362 179.908 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.519 HD11 ' C11' ' A' ' 130' ' ' NCZ . 3.0 tm? -67.71 106.72 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.569 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -121.17 148.26 44.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.617 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 13.2 m -115.82 153.82 30.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 108.31 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -82.34 172.69 8.98 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 124.428 1.08 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.585 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.05 -11.63 21.39 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.81 18.73 21.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.647 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -87.25 7.22 29.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -108.3 101.74 10.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.613 1.195 . . . . 0.0 110.978 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.49 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 23.1 t -151.34 80.56 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.1 p -49.34 129.15 18.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.913 HG21 ' CB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -150.46 160.34 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.696 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -136.06 147.02 47.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.996 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -107.48 145.73 32.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -70.96 157.4 38.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 0.0 109.337 179.981 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.92 -26.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.618 1.199 . . . . 0.0 109.337 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 58' ' ' ASP . 20.2 t-20 -87.1 34.59 0.68 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.13 36.04 1.89 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.296 0.998 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 1.3 m -97.88 96.75 8.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 0.703 . . . . 0.0 109.962 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.753 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . . . -96.29 88.9 4.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.395 1.06 . . . . 0.0 109.408 179.887 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.6 p -88.35 81.55 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.087 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.913 ' CB ' HG21 ' A' ' 55' ' ' VAL . 10.0 t -106.09 169.86 8.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 -179.887 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 87.4 p -150.89 143.85 24.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.695 1.247 . . . . 0.0 109.851 -179.911 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.488 HD13 ' OG ' ' A' ' 53' ' ' SER . 5.6 tp -166.36 176.5 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 179.915 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.747 ' OG1' HG13 ' A' ' 18' ' ' VAL . 18.4 m -108.41 143.48 37.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.64 1.213 . . . . 0.0 110.461 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.531 HG11 ' CA ' ' A' ' 12' ' ' GLY . 14.1 t -88.47 86.42 2.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 109.339 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.656 ' O ' ' CE2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -87.09 71.53 10.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.392 1.058 . . . . 0.0 110.23 -179.869 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.498 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 3.0 tmm_? -35.81 -37.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 73' ' ' PHE . 97.6 p -104.05 134.88 46.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.682 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER 163.08 119.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.715 ' CB ' HG23 ' A' ' 86' ' ' VAL . 29.3 tt0 -77.87 116.12 18.13 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 179.878 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -105.22 -146.78 15.08 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.54 1.15 . . . . 0.0 110.919 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.543 ' CD2' ' O ' ' A' ' 77' ' ' LEU . 3.3 p90 -130.02 152.07 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 111.058 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.602 HD22 HG11 ' A' ' 44' ' ' VAL . 1.1 mt -89.84 174.31 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.209 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -62.94 -22.93 67.14 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.586 1.179 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -79.37 -57.4 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.247 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.58 -25.2 0.28 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.494 1.122 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.453 ' HB ' ' CD1' ' A' ' 77' ' ' LEU . 2.9 m -47.18 133.84 11.51 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 124.475 0.75 . . . . 0.0 110.553 179.919 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -80.04 76.09 6.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.6 1.188 . . . . 0.0 110.359 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.649 ' CD1' HG21 ' A' ' 40' ' ' VAL . 1.6 t90 -111.09 -84.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.01 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.679 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 56.51 121.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.423 1.077 . . . . 0.0 111.023 -179.904 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.642 ' O ' HG12 ' A' ' 86' ' ' VAL . 47.2 m 16.51 -81.74 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 124.502 0.766 . . . . 0.0 110.445 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.715 HG23 ' CB ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER 87.96 -34.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.656 1.222 . . . . 0.0 109.387 -179.984 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.465 ' CG ' ' CG2' ' A' ' 89' ' ' THR . 8.4 t0 -159.78 93.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.381 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.498 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -69.86 61.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 108.23 -179.898 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.465 ' CG2' ' CG ' ' A' ' 87' ' ' ASP . 33.9 p -105.52 -5.8 19.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.589 1.181 . . . . 0.0 110.356 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.0 m -150.08 -45.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 -179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.42 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -74.49 135.24 42.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.607 1.192 . . . . 0.0 109.237 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.26 107.7 18.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.54 ' SG ' HG21 ' A' ' 85' ' ' THR . 0.6 OUTLIER -87.6 125.59 34.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.627 1.204 . . . . 0.0 108.327 179.993 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 94' ' ' GLN . 2.5 pt20 -100.23 119.64 38.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.396 179.889 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.713 HG13 ' HG3' ' A' ' 36' ' ' GLN . 1.8 t -89.49 120.27 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.379 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.07 174.77 44.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -105.72 128.56 53.76 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 0.777 . . . . 0.0 109.326 179.912 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.481 ' CB ' ' HB3' ' A' ' 105' ' ' PRO . 55.2 p -97.26 163.67 12.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -86.68 158.99 19.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.376 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.39 11.44 14.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.924 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -104.08 -22.91 13.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.64 52.94 2.86 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 105' ' ' PRO . 88.5 m-20 -116.07 152.35 33.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 0.816 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -33.89 95.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.434 1.084 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.546 ' HG2' ' C2 ' ' A' ' 130' ' ' NCZ . 18.4 Cg_endo -75.09 139.68 24.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.78 142.16 28.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.17 156.04 27.36 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.424 1.078 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.684 HG21 HG22 ' A' ' 6' ' ' THR . 0.8 OUTLIER -106.06 124.23 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 0.735 . . . . 0.0 109.226 -179.963 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.0 93.54 0.2 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.472 HD13 HG13 ' A' ' 108' ' ' VAL . 1.2 tp -92.74 142.43 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.596 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER 168.58 -58.12 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.586 1.179 . . . . 0.0 110.04 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.54 ' CD2' ' HB3' ' A' ' 111' ' ' SER . 0.9 OUTLIER -137.58 149.13 46.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.985 179.944 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 19.2 p30 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.98 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.649 H182 ' O ' ' A' ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.635 ' HB1' HG21 ' A' ' 6' ' ' THR . . . 56.35 72.87 0.91 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.593 1.183 . . . . 0.0 109.35 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.439 ' C ' HG23 ' A' ' 4' ' ' THR . 18.1 Cg_endo -74.96 153.97 42.33 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 111.05 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.521 ' HB ' HD22 ' A' ' 26' ' ' LEU . 1.1 p 52.11 -153.65 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.791 ' HB2' HD11 ' A' ' 97' ' ' LEU . . . -75.47 128.04 34.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.383 179.904 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.635 HG21 ' HB1' ' A' ' 2' ' ' ALA . 0.6 OUTLIER -149.48 179.14 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 -179.941 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.8 HG13 HG21 ' A' ' 19' ' ' VAL . 4.6 t -114.58 127.34 72.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.779 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -35.7 -69.7 0.16 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.934 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.898 ' CG ' HG11 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.01 -160.91 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.573 1.828 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -139.37 -45.23 0.45 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.432 1.083 . . . . 0.0 109.956 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -62.74 74.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.959 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.921 ' HA2' HG11 ' A' ' 69' ' ' VAL . . . -61.56 -8.92 15.61 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.549 ' CD1' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -78.81 51.67 1.13 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.41 0.712 . . . . 0.0 109.354 179.931 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -126.15 120.67 30.72 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.407 1.067 . . . . 0.0 109.98 179.959 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' SER . 21.5 p-10 -36.1 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 39.51 69.81 0.39 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.606 HG23 HG13 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -77.33 117.61 19.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 0.0 110.424 179.95 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -85.58 114.25 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.355 179.923 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.898 HG11 ' CG ' ' A' ' 9' ' ' PRO . 33.8 m -134.66 -171.69 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.213 -179.891 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -113.23 134.68 54.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.594 ' HA ' ' O ' ' A' ' 6' ' ' THR . 4.9 t -109.74 102.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.45 133.17 33.79 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.356 1.035 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -123.09 77.21 0.35 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.43 1.081 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.0 125.09 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.424 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 89.25 15.33 59.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.88 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.521 HD22 ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -84.77 -146.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 -179.933 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.766 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 3.5 mt-30 -76.11 84.33 2.96 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.694 1.247 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 59' ' ' ALA . . . -66.18 115.51 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.51 -22.78 35.46 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.472 1.108 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.486 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.11 -177.81 5.0 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.549 0.793 . . . . 0.0 110.388 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.808 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -148.81 154.79 40.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.383 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 1.245 ' CE1' HD22 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -150.33 -169.03 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.406 1.066 . . . . 0.0 110.975 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.2 m-20 -108.89 116.78 32.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.021 HG21 HG21 ' A' ' 65' ' ' THR . 43.1 t -79.26 130.49 36.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.62 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 179.62 163.05 29.73 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.632 1.207 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.544 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -96.23 101.63 13.31 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.527 0.78 . . . . 0.0 110.257 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.641 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 5.7 t -108.11 154.12 22.16 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.478 1.111 . . . . 0.0 108.319 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 175.62 170.8 0.35 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.421 1.076 . . . . 0.0 109.345 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.5 p-90 -75.56 112.79 12.27 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.683 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -102.62 -50.91 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.177 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.525 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 0.6 OUTLIER -91.35 170.2 10.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.487 ' C ' ' O ' ' A' ' 41' ' ' ASP . 97.5 m -31.9 96.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.381 1.051 . . . . 0.0 110.255 -179.924 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 40.22 27.17 0.13 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.146 . . . . 0.0 110.954 179.897 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.049 HG11 HD23 ' A' ' 77' ' ' LEU . 2.1 t -100.37 118.27 46.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.215 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.537 HD21 H173 ' A' ' 130' ' ' NCZ . 0.3 OUTLIER -68.39 107.99 3.07 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -121.35 137.76 54.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.215 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.559 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 34.4 m -101.31 154.69 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.206 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.782 ' ND2' ' CE2' ' A' ' 73' ' ' PHE . 17.6 m-20 -75.35 161.6 76.17 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.475 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.6 Cg_endo -74.93 -15.57 20.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.385 1.729 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.67 18.21 21.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.62 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.82 5.26 41.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 3.1 m-85 -96.72 86.72 4.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.3 t -137.37 74.55 1.49 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 109.904 -179.926 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 p -43.29 125.79 3.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.077 179.922 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.876 HG21 ' OG1' ' A' ' 65' ' ' THR . 2.1 t -147.66 164.76 6.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.808 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -133.37 160.51 37.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 179.924 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -105.92 138.19 42.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -67.88 155.66 38.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.459 ' O ' ' HB1' ' A' ' 28' ' ' ALA . . . -38.53 -31.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' A' ' 58' ' ' ASP . 5.9 t30 -88.41 35.34 0.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.373 1.046 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 38.03 42.76 1.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.478 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 73.6 m -113.3 106.78 15.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 0.741 . . . . 0.0 110.034 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.418 ' HB2' ' OH ' ' A' ' 32' ' ' TYR . . . -107.44 88.9 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.367 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -93.97 79.45 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.927 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 65' ' ' THR . . . . . 1.021 HG21 HG21 ' A' ' 34' ' ' VAL . 8.8 t -109.07 136.87 47.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 110.474 179.899 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.5 p -89.31 139.16 30.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.938 ' CD1' HG12 ' A' ' 34' ' ' VAL . 2.5 mt -143.2 165.53 27.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.9 t -105.65 134.46 48.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.921 HG11 ' HA2' ' A' ' 12' ' ' GLY . 40.4 t -89.61 83.32 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.755 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 24.3 mtt-85 -103.95 67.47 0.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.856 HH21 HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -37.25 -30.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 13.3 p -90.4 120.23 31.35 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.912 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.782 ' CE2' ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -177.02 170.41 2.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.455 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 20.6 tt0 -94.25 104.81 16.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.81 161.5 43.38 Favored Glycine 0 CA--C 1.532 1.142 0 O-C-N 124.393 1.058 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 80' ' ' GLY . 13.6 t80 -134.79 118.67 17.28 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.679 0.87 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.049 HD23 HG11 ' A' ' 44' ' ' VAL . 1.7 mp -55.59 136.9 49.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.504 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.7 t80 -60.82 -25.83 66.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.891 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -55.83 -50.5 70.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.576 ' O ' ' CE1' ' A' ' 76' ' ' PHE . . . 156.53 -24.46 0.51 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.43 ' O ' HD12 ' A' ' 77' ' ' LEU . 56.8 m -82.66 161.63 22.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 30.1 ptt180 -100.45 142.23 32.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 -179.934 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.683 ' CD1' HG13 ' A' ' 40' ' ' VAL . 55.3 t-105 -105.69 -89.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.66 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 141.24 -98.82 0.23 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.541 1.151 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.66 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 96.3 m 82.76 -50.77 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 110.443 -179.9 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.524 HG12 ' N ' ' A' ' 87' ' ' ASP . 98.3 t 72.99 -104.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.524 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -62.29 104.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 4.6 t -86.05 63.92 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 108.233 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.4 t -102.79 -22.27 13.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.598 1.186 . . . . 0.0 110.364 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.8 m -88.92 -47.22 8.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.435 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.418 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.66 143.78 26.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.53 98.6 11.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.639 1.212 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 21.3 m -75.9 132.83 40.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 108.328 179.934 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.488 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 10.8 mt-30 -102.65 118.16 36.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.544 HG22 ' HG2' ' A' ' 36' ' ' GLN . 2.6 t -87.86 112.04 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.207 -179.916 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -161.08 177.15 37.56 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.245 HD22 ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -106.08 131.53 53.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.631 0.842 . . . . 0.0 109.346 179.939 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 26.2 t -105.33 142.09 35.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.944 -179.94 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -74.78 159.88 31.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.82 2.26 53.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.494 ' HB3' ' OD1' ' A' ' 103' ' ' ASN . . . -95.86 -18.61 20.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.94 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.53 51.58 3.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.583 1.177 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.494 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 13.3 m120 -107.83 148.53 29.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 0.71 . . . . 0.0 109.246 -179.905 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.15 97.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.586 1.179 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.628 ' HG2' ' C1 ' ' A' ' 130' ' ' NCZ . 18.8 Cg_endo -74.84 126.62 10.19 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.526 1.803 . . . . 0.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.56 122.15 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.214 -179.931 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -131.84 153.15 20.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.544 1.153 . . . . 0.0 111.017 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 108' ' ' VAL . 2.9 p -104.52 116.35 48.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.478 0.752 . . . . 0.0 109.233 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.67 90.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.496 ' HA ' HD12 ' A' ' 110' ' ' ILE . 1.1 tp -93.84 138.93 19.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.44 1.087 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.549 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 0.7 OUTLIER 175.85 -56.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.92 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -140.32 146.15 38.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.988 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.641 ' C6 ' ' CB ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.511 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -170.35 59.02 0.31 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.923 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.715 ' C ' HG23 ' A' ' 4' ' ' THR . 18.0 Cg_endo -74.87 -155.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.715 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.1 p 67.43 -164.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.437 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.517 ' HB1' ' CG1' ' A' ' 21' ' ' VAL . . . -78.54 125.91 30.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.16 -179.884 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -134.52 143.86 47.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.462 179.967 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.672 HG13 ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -83.94 125.19 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.377 1.048 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.747 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -29.01 -69.62 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.384 -179.96 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.747 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.92 -160.82 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.638 1.862 . . . . 0.0 111.076 179.878 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -148.72 -71.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.398 1.061 . . . . 0.0 109.948 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.483 ' CB ' ' HB3' ' A' ' 112' ' ' PHE . 10.8 t -111.42 150.92 29.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.604 1.19 . . . . 0.0 109.926 -179.893 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.449 ' C ' HD23 ' A' ' 13' ' ' LEU . . . 91.08 37.85 6.18 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.517 1.135 . . . . 0.0 111.155 -179.878 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.644 HD12 HG23 ' A' ' 110' ' ' ILE . 2.3 mt -90.13 153.37 20.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 16' ' ' GLY . 6.6 t -120.82 154.83 35.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.432 ' HA ' ' N ' ' A' ' 71' ' ' ARG . 1.7 t0 -58.16 79.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 124.37 38.41 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.558 1.162 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.2 m -89.19 109.02 19.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.762 . . . . 0.0 110.429 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.408 ' H ' HG23 ' A' ' 18' ' ' VAL . 2.3 t -73.64 122.69 27.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.671 HG21 HG13 ' A' ' 7' ' ' VAL . 35.7 m -140.25 160.25 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.381 1.051 . . . . 0.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -95.85 124.63 39.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.517 ' CG1' ' HB1' ' A' ' 5' ' ' ALA . 53.3 t -98.99 100.32 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.585 1.178 . . . . 0.0 109.243 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -89.22 117.8 28.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 179.898 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.482 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -111.16 135.9 13.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.361 1.038 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.82 122.42 17.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 63.95 21.89 66.09 Favored Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.404 1.065 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.657 HD13 ' HB ' ' A' ' 4' ' ' THR . 45.2 tp -85.79 -98.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.614 0.832 . . . . 0.0 109.264 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.749 ' OE1' HD12 ' A' ' 97' ' ' LEU . 1.6 mp0 -47.61 -20.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.442 1.089 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 71.93 4.57 5.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.208 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 114.07 3.56 22.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 179.886 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.11 -161.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 0.74 . . . . 0.0 110.411 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.584 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -130.23 115.32 16.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.668 ' CD2' ' N ' ' A' ' 99' ' ' ASP . 4.9 m-85 -123.41 163.9 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.461 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 3.1 t70 -90.4 118.62 30.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.734 HG22 HD22 ' A' ' 97' ' ' LEU . 90.0 t -80.61 133.87 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.6 ' O ' H182 ' A' ' 130' ' ' NCZ . . . 176.17 154.01 11.16 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.54 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.2 OUTLIER -92.44 100.03 12.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.796 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.526 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 3.3 t -105.73 153.59 21.65 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.482 1.114 . . . . 0.0 108.293 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 178.31 170.06 0.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.0 p-90 -77.49 114.66 16.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.567 ' CG1' ' HB3' ' A' ' 46' ' ' ALA . 8.9 p -95.31 -50.06 11.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.361 179.903 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.498 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 1.6 t0 -81.64 -158.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.93 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 42' ' ' THR . 1.5 m -83.73 84.62 7.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.386 1.054 . . . . 0.0 110.431 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.13 18.8 75.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.568 HG11 HD22 ' A' ' 77' ' ' LEU . 19.2 t -104.72 113.5 41.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.574 0.808 . . . . 0.0 109.218 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.71 HD21 H173 ' A' ' 130' ' ' NCZ . 0.1 OUTLIER -72.27 107.11 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.883 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.567 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -117.9 145.12 44.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.637 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 35.5 m -107.95 155.71 20.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 108.285 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.473 ' O ' ' HB3' ' A' ' 51' ' ' ASP . 6.9 m-20 -79.0 163.55 59.59 Favored Pre-proline 0 N--CA 1.451 -0.407 0 O-C-N 124.396 1.06 . . . . 0.0 109.353 179.86 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.581 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.07 -16.93 19.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.66 16.86 24.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.261 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.591 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.76 11.39 15.51 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 1.6 m-85 -104.05 91.09 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.4 ' OG ' HD21 ' A' ' 67' ' ' LEU . 11.5 t -144.16 80.3 1.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.504 1.127 . . . . 0.0 109.938 -179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.03 115.85 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.957 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.651 HG21 ' CB ' ' A' ' 65' ' ' THR . 0.4 OUTLIER -136.28 162.16 36.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.596 1.185 . . . . 0.0 109.363 179.858 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.584 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -132.42 151.91 51.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 -179.885 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 1.053 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -107.81 156.2 19.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.608 1.192 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -68.31 157.75 34.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.31 -29.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 109.297 179.93 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.7 t30 -88.77 36.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.78 37.86 1.44 Allowed Glycine 0 CA--C 1.532 1.141 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.482 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.9 OUTLIER -99.81 99.78 10.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.618 0.834 . . . . 0.0 109.956 179.971 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 1.053 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.62 77.45 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.19 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -89.71 72.15 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.104 179.914 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.651 ' CB ' HG21 ' A' ' 55' ' ' VAL . 2.8 t -109.96 157.38 19.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 -179.954 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.7 p -117.61 145.24 44.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.349 1.03 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.451 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -148.61 175.36 11.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.616 1.198 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.451 ' H ' HD13 ' A' ' 67' ' ' LEU . 16.4 m -105.18 129.97 53.45 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.561 1.163 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.622 HG11 HD12 ' A' ' 13' ' ' LEU . 19.1 t -87.67 92.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.912 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.432 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 1.3 mmt180 -86.92 74.16 9.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.483 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 1.7 ttm180 -40.02 -39.15 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.627 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 14.9 t -104.16 133.36 49.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.618 1.199 . . . . 0.0 109.944 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 72' ' ' SER . 0.4 OUTLIER 160.29 127.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.535 ' HA ' HG23 ' A' ' 86' ' ' VAL . 37.1 tt0 -82.02 106.89 14.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.676 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -93.5 -142.11 11.59 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CE2' ' HG2' ' A' ' 82' ' ' ARG . 11.1 m-85 -129.67 151.78 49.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 0.776 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.568 HD22 HG11 ' A' ' 44' ' ' VAL . 1.2 mt -90.5 177.47 6.36 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.411 1.07 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.595 ' CD2' ' O5 ' ' A' ' 130' ' ' NCZ . 7.2 t80 -64.08 -27.94 69.44 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.613 1.196 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.64 -60.82 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.5 -27.13 0.2 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.488 HG22 HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -42.72 157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 110.337 -179.996 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.46 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 3.9 mtp-105 -98.77 77.52 2.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.676 ' O ' ' N ' ' A' ' 75' ' ' GLY . 1.8 t90 -112.66 -83.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.657 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 55.11 130.68 0.01 OUTLIER Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 84' ' ' GLY . 1.6 m 15.83 -82.79 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.603 0.825 . . . . 0.0 110.319 -179.942 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.657 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.4 OUTLIER 88.55 -40.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 109.204 179.927 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 89' ' ' THR . 10.5 t0 -159.39 89.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.243 -179.944 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.483 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -69.13 62.04 0.12 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.386 1.054 . . . . 0.0 108.342 179.92 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 87' ' ' ASP . 14.7 t -104.26 -11.89 16.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 0.0 110.426 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.0 m -143.29 -44.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.374 1.046 . . . . 0.0 110.442 179.92 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.4 138.52 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.897 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.964 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -89.81 108.96 20.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.2 m -83.33 123.75 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.399 1.062 . . . . 0.0 108.343 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.54 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 14.3 mt-30 -90.81 111.34 22.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.148 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 3.6 t -87.14 111.58 21.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.544 ' C ' HD23 ' A' ' 97' ' ' LEU . . . -161.23 170.81 37.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.4 1.063 . . . . 0.0 111.071 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.874 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -105.87 117.5 34.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 0.729 . . . . 0.0 109.37 179.879 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.419 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 3.7 p -104.61 147.93 27.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.668 ' N ' ' CD2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -44.56 163.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 -179.942 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.9 3.41 22.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.396 1.06 . . . . 0.0 109.231 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.4 ' HB3' ' OD1' ' A' ' 103' ' ' ASN . . . -94.1 -19.19 21.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.615 1.197 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.86 52.22 2.48 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.515 1.134 . . . . 0.0 111.113 -179.871 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 5.2 p-10 -149.87 164.52 35.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.48 104.36 2.0 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.475 1.109 . . . . 0.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.547 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.0 Cg_endo -75.15 50.66 2.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.449 1.763 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.815 ' O ' H181 ' A' ' 130' ' ' NCZ . 1.6 mt-10 -90.6 126.04 35.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.4 ' C ' ' HB3' ' A' ' 94' ' ' GLN . . . 158.58 145.83 4.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 110' ' ' ILE . 3.6 p -105.58 129.24 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.35 0.676 . . . . 0.0 109.35 179.902 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.964 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -64.45 81.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.931 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.644 HG23 HD12 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -104.97 141.17 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.625 ' O ' ' C ' ' A' ' 112' ' ' PHE . 2.9 p 150.06 -56.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.625 ' C ' ' O ' ' A' ' 111' ' ' SER . 1.8 m-85 13.56 81.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 t30 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.233 -179.92 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.815 H181 ' O ' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.667 ' HB2' ' H ' ' A' ' 107' ' ' GLY . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.985 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . 71.34 -170.38 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.501 1.125 . . . . 0.0 109.225 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.985 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -75.05 -2.96 13.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.716 HG22 ' C ' ' A' ' 25' ' ' GLY . 42.9 p -50.78 -175.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.892 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -52.13 122.48 8.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.366 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.8 143.58 49.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.039 HG13 ' HB ' ' A' ' 19' ' ' VAL . 4.7 t -83.83 119.35 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.73 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -61.82 -67.84 0.97 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 110.484 179.899 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.813 ' HG2' HG12 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.0 52.81 3.16 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.509 1.794 . . . . 0.0 111.054 179.911 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.437 ' HA ' HD23 ' A' ' 13' ' ' LEU . 8.6 p -87.92 -2.23 58.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.935 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' A' ' 112' ' ' PHE . 11.0 t -85.19 124.52 31.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.99 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 33.07 47.16 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.581 1.176 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.653 HD21 ' N ' ' A' ' 111' ' ' SER . 1.0 OUTLIER -59.85 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.43 0.724 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -136.46 153.14 51.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.007 -179.967 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.476 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 0.6 OUTLIER -63.56 82.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.975 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.52 ' C ' ' CG2' ' A' ' 68' ' ' THR . . . 121.71 32.25 1.04 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 179.916 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.492 ' C ' HG23 ' A' ' 68' ' ' THR . 1.1 m -95.38 130.44 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -73.39 115.84 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.039 ' HB ' HG13 ' A' ' 7' ' ' VAL . 20.7 m -119.85 160.32 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.612 1.195 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -109.43 118.19 36.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.235 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.892 HG12 ' HB1' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -99.92 86.46 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.944 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -120.94 132.72 55.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.512 ' HA3' ' O ' ' A' ' 4' ' ' THR . . . 177.56 -169.28 41.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.526 ' HA ' ' O ' ' A' ' 61' ' ' GLY . . . -145.79 150.05 35.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.348 -179.932 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.716 ' C ' HG22 ' A' ' 4' ' ' THR . . . 117.35 14.04 7.22 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.633 HD12 ' H ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -105.25 -141.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 0.712 . . . . 0.0 109.375 179.986 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.887 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.6 mm100 -53.78 92.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.863 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . -59.12 79.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.428 1.08 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 82.51 3.28 90.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.515 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.77 -175.18 4.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 0.747 . . . . 0.0 110.371 -179.998 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.809 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -141.67 114.45 8.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.378 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.634 ' CZ ' ' NE2' ' A' ' 27' ' ' GLN . 4.5 m-30 -116.63 179.14 4.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -96.44 113.88 25.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.175 . . . . 0.0 109.338 -179.93 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.616 HG23 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -80.69 137.89 20.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 -179.88 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.587 ' HA3' ' O ' ' A' ' 51' ' ' ASP . . . 178.44 157.97 20.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.332 1.02 . . . . 0.0 110.997 179.94 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.525 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -92.7 99.38 12.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 0.764 . . . . 0.0 110.214 -179.894 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.646 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 3.3 t -106.23 151.84 24.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.385 1.053 . . . . 0.0 108.404 179.888 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 178.38 155.14 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.425 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 34.3 p90 -57.87 110.86 0.99 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.527 1.142 . . . . 0.0 108.048 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.003 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -97.33 -42.53 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.424 1.078 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.489 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -90.4 -160.63 0.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 42' ' ' THR . 2.2 m -66.45 76.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 0.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.35 14.98 74.71 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.605 1.19 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.721 HG11 HD13 ' A' ' 77' ' ' LEU . 77.9 t -92.38 116.01 32.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.535 0.785 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.526 HD13 H173 ' A' ' 130' ' ' NCZ . 24.5 mt -61.99 102.42 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.003 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -114.53 136.54 52.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.597 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 28.2 m -100.85 156.54 17.31 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 108.306 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.502 ' ND2' ' OE1' ' A' ' 36' ' ' GLN . 3.3 m120 -84.74 165.68 36.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.602 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.08 -12.69 21.37 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.787 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.7 14.95 26.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.065 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.599 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -89.77 12.35 17.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -107.24 91.34 3.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.971 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.557 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -151.68 86.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.991 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.504 ' O ' HG23 ' A' ' 55' ' ' VAL . 6.4 t -37.26 149.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.913 ' CG2' HG21 ' A' ' 65' ' ' THR . 2.3 t -154.96 147.85 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.924 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.809 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -131.39 132.94 44.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.44 179.933 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.887 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -103.27 141.84 35.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.655 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -60.08 158.99 10.13 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.566 1.166 . . . . 0.0 109.374 179.946 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.52 -33.19 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 109.383 179.926 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' ASP . 34.1 t30 -87.88 34.73 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.78 37.19 2.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.64 1.212 . . . . 0.0 111.081 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.432 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -93.1 108.27 19.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 0.793 . . . . 0.0 110.05 179.937 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 5' ' ' ALA . . . -105.28 106.06 16.38 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 4.1 m -110.85 62.13 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.051 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.913 HG21 ' CG2' ' A' ' 55' ' ' VAL . 35.2 m -110.08 150.14 29.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.1 p -126.94 147.67 50.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.035 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.38 179.45 8.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.52 ' CG2' ' C ' ' A' ' 16' ' ' GLY . 85.4 m -105.27 128.79 53.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.473 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.727 HG11 HG21 ' A' ' 110' ' ' ILE . 19.4 t -86.73 89.38 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.851 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.509 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -86.96 66.61 9.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.353 179.957 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.426 ' HD2' ' CA ' ' A' ' 89' ' ' THR . 21.1 ttp180 -39.18 -37.27 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.476 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 4.7 p -80.88 124.53 29.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 110.047 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.531 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 167.52 171.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 179.978 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.496 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 8.6 tt0 -81.04 122.41 27.28 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.479 1.112 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.73 150.86 40.31 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.416 1.073 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 2.4 t80 -136.02 113.53 10.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.743 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.85 HD21 ' HB2' ' A' ' 83' ' ' TRP . 3.2 mt -55.18 152.93 7.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -80.01 -29.57 39.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.363 1.04 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -48.11 79.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.34 -27.32 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.558 ' HB ' HD12 ' A' ' 77' ' ' LEU . 11.6 m -78.67 163.39 25.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 110.403 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -117.78 146.52 43.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.85 ' HB2' HD21 ' A' ' 77' ' ' LEU . 66.1 t-105 -101.82 -86.96 0.41 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.494 1.121 . . . . 0.0 108.001 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.597 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 135.41 -113.81 1.15 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.732 ' C ' HG23 ' A' ' 86' ' ' VAL . 4.3 m 89.31 -63.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.609 0.829 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.732 HG23 ' C ' ' A' ' 85' ' ' THR . 2.7 t 84.82 -14.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -141.54 96.92 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 14.7 t -82.1 54.18 2.44 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.467 1.104 . . . . 0.0 108.33 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.426 ' CA ' ' HD2' ' A' ' 71' ' ' ARG . 7.0 t -96.34 -13.26 23.41 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.912 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 91' ' ' ALA . 9.8 t -88.36 -54.32 4.25 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.395 1.06 . . . . 0.0 110.506 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.519 ' N ' HG23 ' A' ' 90' ' ' THR . . . -91.79 136.07 33.43 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 179.862 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.425 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -68.43 116.58 9.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.459 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -88.28 126.25 35.08 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.435 1.084 . . . . 0.0 108.264 -179.965 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 29.9 mt-30 -105.98 120.75 42.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.381 1.051 . . . . 0.0 110.235 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.719 HG21 HG12 ' A' ' 110' ' ' ILE . 1.7 t -89.43 111.43 22.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.407 ' C ' H183 ' A' ' 130' ' ' NCZ . . . -157.19 172.93 34.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.713 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -106.37 122.26 45.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.449 ' OG ' ' C5 ' ' A' ' 130' ' ' NCZ . 21.4 m -87.91 159.3 18.41 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.561 ' CG ' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.78 166.51 20.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.583 1.177 . . . . 0.0 109.377 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.99 8.29 15.73 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -99.74 -63.61 1.11 Allowed 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.1 40.89 0.07 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.563 1.164 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.431 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 0.4 OUTLIER -151.69 132.5 14.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 0.724 . . . . 0.0 109.388 179.862 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 146.33 73.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.902 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.565 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.5 Cg_endo -75.06 0.03 9.42 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.544 1.813 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.6 ' HG2' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -68.23 138.44 55.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 110.276 -179.949 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.667 ' H ' ' HB2' ' A' ' 1' ' ' ALA . . . -178.9 143.13 5.68 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.418 1.074 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.769 HG13 HD13 ' A' ' 110' ' ' ILE . 2.8 p -68.76 128.97 33.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.574 0.808 . . . . 0.0 109.191 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.6 98.87 0.92 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.935 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.807 HD11 ' CB ' ' A' ' 7' ' ' VAL . 0.6 OUTLIER -84.58 129.9 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.653 ' N ' HD21 ' A' ' 13' ' ' LEU . 1.9 m 150.87 -78.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.371 1.044 . . . . 0.0 110.091 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.485 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 6.8 p90 -146.87 134.36 20.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 111.017 179.921 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 28.0 t30 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.982 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.646 ' C6 ' ' CB ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.617 ' N ' HG21 ' A' ' 108' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 1.011 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -176.53 -60.42 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.397 0 O-C-N 124.459 1.099 . . . . 0.0 109.219 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 1.011 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.1 Cg_endo -75.06 147.32 33.54 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.531 1.806 . . . . 0.0 110.945 -179.889 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.96 ' O ' HG23 ' A' ' 6' ' ' THR . 19.2 p 40.11 -154.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.518 ' HA ' ' CA ' ' A' ' 23' ' ' GLY . . . -45.74 132.69 8.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.96 HG23 ' O ' ' A' ' 4' ' ' THR . 50.4 p -139.47 166.57 24.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 110.351 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.634 HG13 ' HD2' ' A' ' 9' ' ' PRO . 2.5 t -120.08 121.55 66.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.232 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.717 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -32.74 -67.66 0.18 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.473 179.907 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.966 ' HG3' HG11 ' A' ' 19' ' ' VAL . 18.6 Cg_endo -74.87 -162.0 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 179.913 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -139.45 -43.19 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.923 -179.974 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 111' ' ' SER . 58.3 m -64.43 73.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 10' ' ' SER . . . -49.65 -32.1 16.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -76.45 69.26 2.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.665 ' O ' ' C ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -132.41 78.84 1.83 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.501 1.126 . . . . 0.0 109.871 -179.932 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.665 ' C ' ' O ' ' A' ' 14' ' ' SER . 10.4 p-10 15.88 63.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.49 ' O ' ' CG2' ' A' ' 68' ' ' THR . . . 52.59 69.47 1.18 Allowed Glycine 0 CA--C 1.532 1.153 0 O-C-N 124.582 1.176 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.506 HG22 HG12 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -71.69 136.77 47.39 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.668 0.864 . . . . 0.0 110.324 -179.928 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.786 HG22 HG23 ' A' ' 68' ' ' THR . 1.8 t -104.01 119.61 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.966 HG11 ' HG3' ' A' ' 9' ' ' PRO . 5.1 m -144.64 -166.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.617 1.198 . . . . 0.0 109.307 179.914 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.64 141.64 35.69 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.61 ' HA ' ' O ' ' A' ' 6' ' ' THR . 10.5 t -113.18 85.31 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.4 129.9 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.518 ' CA ' ' HA ' ' A' ' 5' ' ' ALA . . . -121.29 122.08 5.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.68 101.44 12.62 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.594 0.82 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.536 ' O ' ' O ' ' A' ' 26' ' ' LEU . . . 96.57 38.16 4.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.414 1.071 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.964 HD13 ' HB3' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -56.88 -140.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.752 . . . . 0.0 109.215 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.586 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 44.5 tp60 -82.38 40.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 74.93 -9.7 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 109.241 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.746 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 120.47 8.16 8.58 Favored Glycine 0 CA--C 1.527 0.804 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.66 HG22 ' H ' ' A' ' 31' ' ' ALA . 4.3 m -60.35 -152.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.373 0.69 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.66 ' H ' HG22 ' A' ' 30' ' ' THR . . . -137.57 136.91 38.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.909 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 5.6 m-30 -150.68 -178.52 6.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 24.6 t70 -102.1 111.25 23.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.602 1.189 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.784 HG23 HD23 ' A' ' 97' ' ' LEU . 1.1 t -76.12 143.08 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 0.0 109.351 179.917 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.616 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 168.92 161.21 18.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.515 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -95.06 103.43 15.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 0.711 . . . . 0.0 110.271 179.905 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.611 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 3.6 t -107.16 154.42 21.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.618 1.199 . . . . 0.0 108.358 179.844 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.491 ' HB1' ' O ' ' A' ' 92' ' ' ALA . . . 176.19 159.65 0.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.497 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 21.4 p-90 -59.07 98.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.995 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -82.75 -47.61 18.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.704 ' HB2' HD11 ' A' ' 77' ' ' LEU . 7.7 t0 -91.02 -150.21 0.23 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.147 . . . . 0.0 109.357 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.5 m -77.34 88.84 3.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 179.944 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.59 24.27 63.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.89 ' CG1' HD12 ' A' ' 77' ' ' LEU . 47.6 t -103.75 100.99 11.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.523 0.779 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.883 HD13 ' H14' ' A' ' 130' ' ' NCZ . 1.5 mt -56.79 87.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.995 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -100.13 153.1 19.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.869 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.605 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 3.8 m -113.62 151.36 31.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 108.326 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.545 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -75.86 170.12 17.4 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.59 1.181 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.638 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.91 -11.28 21.65 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.521 1.801 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.23 14.22 25.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.616 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -89.22 8.31 30.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.638 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -107.45 94.86 5.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.641 1.213 . . . . 0.0 111.08 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.851 ' CB ' HD11 ' A' ' 67' ' ' LEU . 4.4 t -150.9 85.76 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.896 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -48.88 142.43 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.632 1.207 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.797 HG21 ' HB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -164.69 173.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.611 1.194 . . . . 0.0 109.27 179.958 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.646 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -145.07 158.28 43.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 179.988 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.862 ' HB2' HD22 ' A' ' 26' ' ' LEU . . . -104.93 149.59 25.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.376 1.048 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.9 OUTLIER -68.24 159.26 31.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.61 -37.39 0.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.378 -179.956 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -87.34 38.39 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.334 1.021 . . . . 0.0 109.228 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.38 41.0 2.87 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.492 1.12 . . . . 0.0 110.867 179.872 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 53.5 m -103.96 98.3 8.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.964 ' HB3' HD13 ' A' ' 26' ' ' LEU . . . -104.33 96.63 6.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 p -106.11 77.78 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.797 ' HB ' HG21 ' A' ' 55' ' ' VAL . 5.7 t -108.38 130.53 55.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.284 -179.924 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.0 p -91.68 131.81 36.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.064 . . . . 0.0 110.079 179.877 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.851 HD11 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -149.41 179.79 7.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 -179.957 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.786 HG23 HG22 ' A' ' 18' ' ' VAL . 22.8 m -105.91 132.15 52.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.421 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 69' ' ' VAL . 7.7 p -89.95 85.44 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -92.83 118.34 31.0 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.364 1.04 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.684 ' HD2' HG22 ' A' ' 89' ' ' THR . 42.1 ttp180 -90.04 -33.93 16.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.582 1.176 . . . . 0.0 110.386 179.956 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.561 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 83.3 p -96.08 114.98 26.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.609 1.193 . . . . 0.0 109.96 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -177.86 165.96 2.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.545 1.153 . . . . 0.0 110.885 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.427 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 0.8 OUTLIER -81.11 110.27 16.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.605 1.191 . . . . 0.0 110.227 -179.951 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.45 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -80.22 161.82 45.53 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.602 1.189 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 42.7 m-85 -130.37 133.28 46.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 111.041 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.89 HD12 ' CG1' ' A' ' 44' ' ' VAL . 1.1 mm? -71.27 138.71 49.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.391 1.057 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.69 -25.78 65.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 179.891 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -52.93 -53.7 45.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.629 1.205 . . . . 0.0 109.345 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.36 -26.43 0.35 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.2 m -84.24 166.53 17.44 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.577 0.81 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 3.8 ptp180 -110.02 141.48 42.77 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.583 1.177 . . . . 0.0 110.192 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.864 ' HB2' HD21 ' A' ' 77' ' ' LEU . 37.7 t-105 -103.37 -89.98 0.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.487 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 148.38 -77.64 0.24 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.434 1.084 . . . . 0.0 111.079 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.814 ' CB ' HG22 ' A' ' 40' ' ' VAL . 7.5 m 67.7 -55.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 0.0 110.369 179.901 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.562 HG12 ' N ' ' A' ' 87' ' ' ASP . 88.7 t 71.68 -104.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.562 ' N ' HG12 ' A' ' 86' ' ' VAL . 1.1 t0 -59.07 91.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.401 179.93 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 52.6 t -75.57 59.85 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 108.277 -179.9 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.684 HG22 ' HD2' ' A' ' 71' ' ' ARG . 54.8 p -102.81 -15.92 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 -179.931 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.534 HG23 ' N ' ' A' ' 91' ' ' ALA . 9.1 t -88.96 -55.06 3.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.432 179.909 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.534 ' N ' HG23 ' A' ' 90' ' ' THR . . . -91.42 135.5 33.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.491 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -72.43 118.71 15.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.344 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.46 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -90.64 121.98 33.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 0.0 108.267 179.927 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.503 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 3.3 pt20 -103.15 122.13 44.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.515 HG22 ' HG2' ' A' ' 36' ' ' GLN . 1.9 t -87.86 114.34 26.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.523 ' C ' H183 ' A' ' 130' ' ' NCZ . . . -164.6 179.15 39.5 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.572 1.17 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.784 HD23 HG23 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -106.45 125.9 51.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 0.72 . . . . 0.0 109.34 179.919 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 99.1 p -85.12 154.23 22.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.598 1.186 . . . . 0.0 109.961 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.594 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -88.82 162.35 16.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.97 14.34 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.93 -84.84 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 174.15 47.54 0.05 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -137.33 157.38 46.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.43 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -136.91 62.03 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.444 1.09 . . . . 0.0 111.062 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.5 Cg_endo -74.86 -37.89 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.438 ' HG2' ' CD1' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -85.53 147.53 26.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.227 -179.868 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.95 119.7 2.09 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.617 HG21 ' N ' ' A' ' 1' ' ' ALA . 8.5 p -106.18 122.45 59.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.78 88.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.921 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.514 ' O ' ' CB ' ' A' ' 111' ' ' SER . 2.4 tp -92.1 160.24 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.5 OUTLIER 158.12 -60.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 109.953 179.985 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.484 ' O ' ' CG ' ' A' ' 112' ' ' PHE . 34.8 p90 -144.33 117.07 8.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.475 ' CA ' ' HB3' ' A' ' 10' ' ' SER . 48.1 p-10 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.634 1.209 . . . . 0.0 109.218 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.883 ' H14' HD13 ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.707 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.769 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . 162.23 -51.46 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.924 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.769 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.4 Cg_endo -74.98 116.92 4.73 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.77 ' HB ' HD23 ' A' ' 26' ' ' LEU . 1.2 p 45.43 -170.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.455 179.944 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.406 ' N ' ' HA2' ' A' ' 23' ' ' GLY . . . -65.26 111.01 2.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.098 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.404 HG22 HG21 ' A' ' 108' ' ' VAL . 1.0 OUTLIER -149.13 146.96 27.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 110.431 -179.958 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.895 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.0 t -74.43 135.74 26.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.479 1.112 . . . . 0.0 109.214 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.545 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -41.93 -59.37 2.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.402 179.967 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.015 ' HG3' HG11 ' A' ' 19' ' ' VAL . 18.0 Cg_endo -74.92 -160.34 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.534 1.808 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 111' ' ' SER . 0.6 OUTLIER -137.99 -45.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.456 ' HA ' ' HB3' ' A' ' 111' ' ' SER . 0.5 OUTLIER -71.72 59.81 0.34 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.447 1.092 . . . . 0.0 110.019 179.966 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -46.31 -29.06 3.52 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.62 1.2 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.913 HD23 ' O ' ' A' ' 111' ' ' SER . 2.2 pp -59.93 77.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.569 0.805 . . . . 0.0 109.346 179.915 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.573 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -150.33 130.26 13.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 110.106 -179.983 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -35.84 92.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 38.73 67.26 0.57 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.504 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.3 OUTLIER -70.78 123.33 21.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.741 . . . . 0.0 110.363 179.976 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -92.53 115.94 32.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.015 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -142.32 -171.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.403 1.065 . . . . 0.0 109.309 179.943 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 6.9 pttt -115.3 132.54 56.58 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.647 1.217 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -106.66 104.84 17.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.936 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -87.43 131.11 34.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.224 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -118.81 75.44 0.3 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -79.25 130.22 35.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.403 0.707 . . . . 0.0 109.246 -179.916 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 55.5 35.72 62.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.588 1.18 . . . . 0.0 111.057 -179.951 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.77 HD23 ' HB ' ' A' ' 4' ' ' THR . 3.3 tm? -106.65 -96.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.627 ' CG ' ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -47.89 -22.15 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.618 1.199 . . . . 0.0 110.393 179.951 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 74.53 -2.27 2.86 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.368 1.043 . . . . 0.0 109.41 -179.92 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 120.69 -2.91 12.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.418 1.074 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.518 HG22 ' H ' ' A' ' 31' ' ' ALA . 1.7 m -67.44 -155.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 0.815 . . . . 0.0 110.436 -179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.527 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -138.9 114.81 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.392 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.627 ' CD1' ' CG ' ' A' ' 27' ' ' GLN . 8.4 m-85 -131.11 152.5 50.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.549 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 1.2 t70 -96.66 128.49 43.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.584 HG23 ' CD2' ' A' ' 97' ' ' LEU . 2.2 p -76.58 141.73 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.653 1.221 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.461 ' O ' H182 ' A' ' 130' ' ' NCZ . . . 178.95 109.79 0.26 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.42 1.075 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.612 HE21 ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -60.85 102.98 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.576 ' HB2' ' C6 ' ' A' ' 130' ' ' NCZ . 0.5 OUTLIER -104.66 152.32 22.62 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.523 1.139 . . . . 0.0 108.271 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.487 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 177.62 157.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.382 1.051 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.541 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 34.6 p-90 -61.86 85.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.051 HG22 ' CG2' ' A' ' 85' ' ' THR . 0.3 OUTLIER -77.52 -48.15 24.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.489 1.118 . . . . 0.0 109.194 -179.91 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.551 ' HB3' HG23 ' A' ' 44' ' ' VAL . 6.0 t0 -74.36 -151.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.935 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.722 ' O ' HG23 ' A' ' 42' ' ' THR . 12.0 t -84.97 60.66 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 110.459 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.66 10.37 53.21 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.785 HG11 HD23 ' A' ' 77' ' ' LEU . 2.8 t -97.71 114.33 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.482 HD11 H173 ' A' ' 130' ' ' NCZ . 0.4 OUTLIER -67.32 89.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.615 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -95.93 140.48 30.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.552 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 31.4 m -97.82 153.24 18.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.609 1.193 . . . . 0.0 108.299 179.938 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.612 ' CB ' HE21 ' A' ' 36' ' ' GLN . 5.4 m120 -94.03 122.45 61.82 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.421 179.958 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.495 ' CD ' ' O ' ' A' ' 74' ' ' GLU . 18.1 Cg_endo -74.93 6.25 3.47 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.549 1.815 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.77 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . . . -105.72 4.14 29.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.213 179.99 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.553 ' HB2' ' CD ' ' A' ' 36' ' ' GLN . 14.1 t70 -127.07 15.34 7.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 2.9 m-85 -82.73 111.53 18.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 111.062 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.476 ' HB3' HG12 ' A' ' 34' ' ' VAL . 4.7 t -153.01 99.13 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.92 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.549 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 63.4 p -58.8 132.15 53.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 110.048 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.611 HG21 ' OG1' ' A' ' 65' ' ' THR . 47.3 t -152.45 164.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.241 -179.904 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.527 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -130.72 162.8 28.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 1.017 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -107.55 154.01 22.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.24 179.958 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -77.34 159.06 29.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.612 1.195 . . . . 0.0 109.327 -179.902 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.94 -27.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.934 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.464 ' N ' ' C ' ' A' ' 58' ' ' ASP . 1.4 t-20 -88.1 32.25 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.648 1.217 . . . . 0.0 109.359 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.05 44.23 5.78 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.463 1.102 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -110.53 101.64 10.3 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.535 0.785 . . . . 0.0 110.011 -179.991 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 1.017 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.52 93.9 4.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.8 p -94.9 87.71 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 110.047 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.624 HG21 HD22 ' A' ' 97' ' ' LEU . 14.4 t -105.85 119.3 38.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.38 1.05 . . . . 0.0 110.44 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 6.2 p -102.95 136.4 42.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.884 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.761 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -168.25 179.94 4.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.416 1.072 . . . . 0.0 109.254 179.926 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.761 ' H ' HD13 ' A' ' 67' ' ' LEU . 12.5 t -102.04 139.39 37.73 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.601 1.188 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 17' ' ' THR . 3.4 p -88.04 88.48 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.581 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -88.79 101.04 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.24 -179.919 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 88' ' ' CYS . 5.7 ttm-85 -81.18 -24.17 37.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 62.0 p -95.26 106.08 18.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.77 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER 175.43 170.49 0.33 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.566 1.166 . . . . 0.0 111.077 -179.964 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.495 ' O ' ' CD ' ' A' ' 49' ' ' PRO . 3.4 tt0 -79.27 128.23 33.05 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.629 1.206 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.37 160.11 41.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -118.11 103.6 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 0.795 . . . . 0.0 110.893 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.785 HD23 HG11 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -83.9 175.95 9.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.405 1.066 . . . . 0.0 109.359 179.897 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -90.21 -33.49 16.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.398 1.061 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -97.34 -24.23 15.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 -179.974 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.547 ' O ' ' C ' ' A' ' 81' ' ' THR . . . -142.75 58.36 0.55 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.58 1.175 . . . . 0.0 111.047 179.881 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.653 HG23 ' H ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -25.49 -93.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 110.429 -179.904 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.653 ' H ' HG23 ' A' ' 81' ' ' THR . 3.9 ptm180 -53.2 84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.599 ' CB ' HD13 ' A' ' 77' ' ' LEU . 14.4 t-105 -96.46 -87.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 107.971 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 161.41 -114.14 0.6 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.582 1.176 . . . . 0.0 111.055 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 85' ' ' THR . . . . . 1.051 ' CG2' HG22 ' A' ' 40' ' ' VAL . 6.7 m 83.55 -57.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.453 0.737 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 87' ' ' ASP . 96.1 t 70.86 -103.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.557 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -66.01 105.79 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.392 1.057 . . . . 0.0 109.385 179.939 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.512 ' O ' ' CD ' ' A' ' 71' ' ' ARG . 4.0 t -89.59 64.39 6.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 108.405 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.79 -8.3 19.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.855 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.5 m -89.3 -56.9 3.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.272 0.982 . . . . 0.0 110.376 -179.947 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.5 139.09 31.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.561 1.163 . . . . 0.0 109.37 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.604 ' HA ' ' CD1' ' A' ' 112' ' ' PHE . . . -70.83 114.73 9.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.931 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.487 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -84.72 125.09 32.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 108.26 179.982 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.4 pt20 -104.93 119.17 38.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.529 HG22 ' HB3' ' A' ' 36' ' ' GLN . 3.4 t -89.05 129.59 39.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.491 ' C ' HD23 ' A' ' 97' ' ' LEU . . . -171.75 173.48 45.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.395 1.059 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.624 HD22 HG21 ' A' ' 65' ' ' THR . 0.1 OUTLIER -103.27 124.78 49.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.434 0.726 . . . . 0.0 109.236 -179.952 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.457 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 27.7 p -105.12 162.85 13.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.491 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -95.27 161.27 14.17 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.554 1.159 . . . . 0.0 109.19 -179.939 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.87 16.56 7.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.482 ' HB3' ' OD1' ' A' ' 103' ' ' ASN . . . -105.96 -24.94 12.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.28 54.15 2.04 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.596 1.185 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.482 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 17.4 m120 -116.47 148.09 41.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.586 0.816 . . . . 0.0 109.284 -179.921 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.22 98.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.055 179.894 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.567 ' HG2' ' C1 ' ' A' ' 130' ' ' NCZ . 18.5 Cg_endo -74.99 140.1 25.1 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.792 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.504 ' CB ' HD21 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -91.12 114.86 27.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.98 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -137.32 150.29 20.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.572 1.17 . . . . 0.0 110.948 -179.891 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 1.6 p -104.71 131.58 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.391 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.6 97.74 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.379 1.05 . . . . 0.0 109.215 -179.911 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 112' ' ' PHE . 6.6 tp -69.17 157.41 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.913 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -63.5 68.34 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.471 1.107 . . . . 0.0 110.062 179.905 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.604 ' CD1' ' HA ' ' A' ' 92' ' ' ALA . 55.1 p90 -52.55 142.8 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 111.075 -180.0 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 112' ' ' PHE . 8.0 m-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.576 ' C6 ' ' HB2' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -157.23 67.47 4.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.617 1.198 . . . . 0.0 109.338 -179.93 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.433 ' C ' HG23 ' A' ' 4' ' ' THR . 18.1 Cg_endo -74.91 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 -179.921 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.511 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.3 p 53.33 -159.11 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.447 ' HB2' HD22 ' A' ' 26' ' ' LEU . . . -69.84 125.57 27.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.401 ' HA ' ' HB ' ' A' ' 108' ' ' VAL . 1.2 p -150.46 146.73 26.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.35 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.728 HG13 HG21 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -75.59 130.66 35.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.378 179.935 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.819 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -37.37 -73.09 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.362 -179.959 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.819 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.87 -98.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.412 1.743 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 7.6 m -154.91 -26.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.89 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.543 ' CB ' HG21 ' A' ' 69' ' ' VAL . 1.2 m 49.01 -175.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.52 ' HA3' HG23 ' A' ' 110' ' ' ILE . . . 86.34 -43.49 3.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.427 1.079 . . . . 0.0 110.973 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.755 HD22 ' HA ' ' A' ' 113' ' ' ASN . 1.0 OUTLIER -44.56 -32.63 1.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 0.783 . . . . 0.0 109.387 -179.969 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.4 t -132.03 122.78 26.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.656 1.222 . . . . 0.0 110.024 179.909 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.435 ' C ' ' HA ' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -65.31 63.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 160.09 32.45 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.563 1.165 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 m -89.44 110.17 21.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 0.721 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 t -90.0 119.11 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.217 -179.955 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.728 HG21 HG13 ' A' ' 7' ' ' VAL . 34.5 m -138.22 -177.99 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.919 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -103.41 130.77 50.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.483 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.5 t -107.38 98.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.232 -179.919 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.55 131.36 36.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.511 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -116.76 98.49 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.339 1.025 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -88.24 108.48 19.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.78 . . . . 0.0 109.238 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.39 34.39 45.53 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.51 1.131 . . . . 0.0 111.071 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.058 HD21 HD11 ' A' ' 97' ' ' LEU . 4.6 tp -61.52 -120.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.584 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 1.3 tp60 -79.89 24.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 76.3 -11.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 179.874 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.684 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 129.62 -2.26 6.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 -179.91 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.488 HG22 ' H ' ' A' ' 31' ' ' ALA . 1.5 m -59.05 -156.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 0.709 . . . . 0.0 110.347 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.488 ' H ' HG22 ' A' ' 30' ' ' THR . . . -131.49 144.31 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 109.427 179.801 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.972 ' OH ' HD23 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -151.61 -173.02 4.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.939 -179.951 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.509 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 22.2 t0 -106.7 108.5 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.918 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.654 HG23 ' HB3' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -79.68 142.08 14.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.927 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.614 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 167.28 161.01 15.59 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.6 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -95.04 102.03 13.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 0.787 . . . . 0.0 110.259 -179.995 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.642 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 3.8 t -107.06 154.71 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 108.338 179.908 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.48 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 179.03 164.69 0.88 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.921 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.405 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 56.1 p-90 -72.55 115.08 11.39 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.914 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.718 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -99.9 -47.43 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.183 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.614 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.2 OUTLIER -87.49 -165.35 1.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.949 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 44' ' ' VAL . 21.8 m -59.35 87.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.43 20.83 31.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.556 1.16 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.635 HG11 HD13 ' A' ' 77' ' ' LEU . 61.4 t -95.72 116.41 37.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.79 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.9 108.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.818 ' HB2' HD23 ' A' ' 77' ' ' LEU . . . -121.26 134.66 55.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.575 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 34.1 m -99.34 155.92 17.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 108.233 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 73' ' ' PHE . 1.5 m120 -83.75 167.61 27.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.4 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.66 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.03 -12.41 21.45 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.451 1.764 . . . . 0.0 111.059 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.13 13.72 27.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.604 1.19 . . . . 0.0 109.223 179.991 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.614 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -89.62 7.26 37.42 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.574 1.171 . . . . 0.0 109.366 179.869 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.66 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.7 m-85 -106.51 91.51 3.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.429 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -149.58 90.86 1.75 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.528 1.142 . . . . 0.0 109.97 -179.911 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.0 p -48.64 121.63 4.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.735 HG12 ' HE1' ' A' ' 32' ' ' TYR . 19.0 t -136.75 149.47 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.207 179.956 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.472 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -130.35 157.95 41.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.367 -179.926 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.684 ' HB3' ' HA2' ' A' ' 29' ' ' GLY . . . -105.5 148.25 27.42 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.639 ' O ' ' N ' ' A' ' 61' ' ' GLY . 1.4 m-20 -64.28 161.37 16.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.89 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.78 -37.71 0.36 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.498 1.123 . . . . 0.0 109.37 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -88.08 37.39 0.81 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.417 1.073 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.28 43.01 3.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -108.98 102.66 11.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.897 -179.885 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.587 ' HB2' ' OH ' ' A' ' 32' ' ' TYR . . . -105.76 93.84 4.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.23 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.9 p -102.27 71.89 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 179.964 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.599 HG21 HG22 ' A' ' 55' ' ' VAL . 85.7 m -109.14 136.27 48.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.2 p -98.47 135.71 39.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.079 -179.973 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.31 170.01 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.446 HG21 ' NH1' ' A' ' 70' ' ' ARG . 9.7 t -102.67 123.84 47.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 110.414 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.675 ' CG1' HG21 ' A' ' 110' ' ' ILE . 46.0 t -89.19 89.29 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 109.212 -179.901 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.685 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 2.9 mtt85 -98.28 74.69 2.22 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.573 1.17 . . . . 0.0 110.29 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.539 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -38.06 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.978 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.502 ' C ' ' CG ' ' A' ' 73' ' ' PHE . 3.2 m -89.42 136.2 33.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.073 179.908 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.685 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 162.87 178.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.06 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.613 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 30.4 tt0 -93.25 105.51 17.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.388 1.055 . . . . 0.0 110.282 -179.852 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.76 161.57 48.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.577 1.173 . . . . 0.0 111.081 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.613 ' CE2' ' O ' ' A' ' 74' ' ' GLU . 10.8 m-85 -142.19 131.81 23.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 0.717 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.138 HD12 HG23 ' A' ' 81' ' ' THR . 21.2 mt -69.8 148.52 49.01 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -76.12 -24.27 54.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.67 -50.23 68.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.263 -179.863 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.76 -25.07 0.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 81' ' ' THR . . . . . 1.138 HG23 HD12 ' A' ' 77' ' ' LEU . 2.5 t -87.46 154.77 20.38 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.551 0.795 . . . . 0.0 110.463 179.889 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.57 148.16 26.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.397 1.061 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.718 ' CD1' HG13 ' A' ' 40' ' ' VAL . 41.4 t-105 -106.43 -85.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 108.002 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.503 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 127.3 -74.58 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.945 ' O ' HG22 ' A' ' 86' ' ' VAL . 1.6 m 68.29 -59.21 0.45 Allowed 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.456 0.739 . . . . 0.0 110.472 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.945 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 82.6 -24.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.389 1.056 . . . . 0.0 109.175 179.85 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.757 ' H ' HG22 ' A' ' 85' ' ' THR . 13.2 t0 -144.25 105.8 4.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.959 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 7.8 t -91.22 50.6 1.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 108.291 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.8 m -89.29 -16.09 31.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.447 179.977 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.4 m -87.03 -52.05 5.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.382 1.051 . . . . 0.0 110.538 179.841 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.431 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.44 144.04 26.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.51 111.38 13.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 179.934 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.48 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -84.83 123.48 30.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 108.319 179.959 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 6.0 mt-30 -99.83 120.84 40.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.6 HG22 ' HG2' ' A' ' 36' ' ' GLN . 5.3 t -89.26 109.32 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.921 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -161.71 178.72 37.47 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.643 1.215 . . . . 0.0 111.052 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.058 HD11 HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -106.57 148.1 28.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.935 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.6 p -103.68 149.05 25.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.092 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.62 164.15 18.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.222 -179.819 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.08 23.29 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.1 -40.75 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 -179.933 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 123.86 46.52 0.26 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.425 1.078 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -143.47 153.78 42.98 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.572 0.807 . . . . 0.0 109.284 179.915 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.476 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -139.75 59.76 0.58 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.431 1.082 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.6 Cg_endo -74.91 -22.64 14.8 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.437 1.756 . . . . 0.0 111.007 179.913 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.588 ' HG2' HD11 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -86.95 152.06 22.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.398 179.923 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 144.72 115.6 1.01 Allowed Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.715 HG11 ' H ' ' A' ' 7' ' ' VAL . 8.2 p -82.48 132.99 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.397 0.704 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.26 92.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.675 HG21 ' CG1' ' A' ' 69' ' ' VAL . 0.9 OUTLIER -76.73 146.45 8.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.377 1.048 . . . . 0.0 109.379 179.945 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.2 m 152.83 -76.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.087 -179.883 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.521 ' O ' ' O ' ' A' ' 111' ' ' SER . 8.5 m-85 -42.32 173.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.585 1.178 . . . . 0.0 111.049 179.913 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.755 ' HA ' HD22 ' A' ' 13' ' ' LEU . 8.3 p-10 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.641 1.213 . . . . 0.0 109.363 179.907 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.642 ' C6 ' ' CB ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.84 65.27 7.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.459 ' C ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.93 -67.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.459 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.9 p 57.93 -169.49 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 110.415 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.523 ' HB2' HD13 ' A' ' 26' ' ' LEU . . . -55.83 104.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.45 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.426 HG22 ' CG2' ' A' ' 108' ' ' VAL . 1.1 p -140.17 148.79 42.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.178 . . . . 0.0 110.438 -179.904 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.744 HG13 HG21 ' A' ' 19' ' ' VAL . 3.6 t -80.57 126.57 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.796 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -30.95 -71.33 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 -179.96 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.913 ' CG ' HG11 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.0 -162.65 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 110.947 -179.907 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.449 ' O ' HD13 ' A' ' 110' ' ' ILE . 78.7 p -132.64 -45.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.872 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 111' ' ' SER . 3.4 m -69.72 62.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.371 1.045 . . . . 0.0 110.065 179.937 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.495 ' HA3' HG23 ' A' ' 110' ' ' ILE . . . -58.16 -12.33 11.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.586 1.179 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.88 ' O ' HD12 ' A' ' 13' ' ' LEU . 3.9 pp -69.0 59.07 0.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.508 0.77 . . . . 0.0 109.193 -179.876 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -131.26 123.11 27.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 109.933 -179.955 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 14' ' ' SER . 4.9 m-20 -33.12 93.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 45.54 69.29 0.81 Allowed Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.605 1.19 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.476 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -78.55 125.43 29.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 0.811 . . . . 0.0 110.429 179.947 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.558 HG13 ' OG1' ' A' ' 68' ' ' THR . 0.5 OUTLIER -91.05 117.11 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.913 HG11 ' CG ' ' A' ' 9' ' ' PRO . 7.6 m -139.87 -176.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.225 -179.935 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -117.32 130.49 56.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.398 179.97 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.463 HG22 HG22 ' A' ' 7' ' ' VAL . 67.9 t -100.35 102.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.387 1.054 . . . . 0.0 109.313 -179.923 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.13 124.51 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.918 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.488 ' HA2' ' N ' ' A' ' 5' ' ' ALA . . . -110.68 67.71 0.22 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.606 1.191 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.57 131.67 41.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 70.97 18.27 76.17 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.495 1.122 . . . . 0.0 111.06 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.523 HD13 ' HB2' ' A' ' 5' ' ' ALA . 1.4 tp -74.43 -145.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.443 0.731 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.518 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 3.5 mm-40 -89.89 78.14 6.85 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.436 1.085 . . . . 0.0 110.175 -179.937 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.706 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . -59.36 133.48 56.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.622 1.201 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.93 -26.84 8.93 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.936 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.433 ' O ' ' OG1' ' A' ' 56' ' ' THR . 0.1 OUTLIER -89.83 -179.19 5.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.429 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.861 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -153.83 146.47 24.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.382 1.051 . . . . 0.0 109.361 179.929 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 16.6 m-85 -149.51 178.48 8.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 14.7 t0 -105.66 118.53 36.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.782 HG21 HG21 ' A' ' 65' ' ' THR . 1.5 t -81.2 146.58 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.627 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 177.86 162.39 27.76 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.882 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.21 88.89 5.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 0.731 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.57 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 5.3 t -105.74 152.79 22.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.391 1.057 . . . . 0.0 108.195 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -178.39 170.13 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.395 179.953 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -86.72 115.22 24.03 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.023 HG21 ' CZ2' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -102.61 -49.77 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.505 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -85.03 -176.77 6.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.405 1.066 . . . . 0.0 109.267 -179.977 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 44' ' ' VAL . 21.2 m -48.66 93.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.383 179.935 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 50.36 20.2 3.44 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.719 HG11 HD13 ' A' ' 77' ' ' LEU . 88.4 t -91.86 112.13 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.366 0.686 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.768 HD13 ' H14' ' A' ' 130' ' ' NCZ . 0.3 OUTLIER -77.44 103.72 7.54 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.521 1.138 . . . . 0.0 109.208 -179.931 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.648 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . . . -115.07 142.65 46.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.55 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 3.3 m -107.81 147.57 30.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.611 1.194 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.503 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -79.37 172.65 9.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.383 179.958 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.549 ' CD ' ' HB3' ' A' ' 73' ' ' PHE . 18.2 Cg_endo -74.93 -15.91 20.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.27 15.2 28.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.978 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.627 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.1 t70 -90.26 15.49 10.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 12.8 m-85 -109.68 102.29 11.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.567 1.167 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.41 ' HB3' HG12 ' A' ' 34' ' ' VAL . 7.9 t -148.68 79.29 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.027 179.956 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.447 ' N ' ' OD2' ' A' ' 33' ' ' ASP . 99.6 p -55.76 126.37 25.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.936 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.753 HG21 ' HB ' ' A' ' 65' ' ' THR . 9.7 p -154.43 172.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.07 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.861 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -139.22 168.5 19.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.375 -179.964 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -105.54 129.4 53.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.416 1.072 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -66.43 154.31 40.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -40.33 -29.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.252 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.439 ' N ' ' C ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -87.33 32.8 0.69 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.942 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.706 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . . . 39.4 43.14 2.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 111.059 -179.917 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.465 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -115.76 105.76 13.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.538 0.787 . . . . 0.0 109.97 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.427 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . . . -106.14 81.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.951 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.3 p -91.46 87.7 6.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.587 1.179 . . . . 0.0 110.06 179.914 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.782 HG21 HG21 ' A' ' 34' ' ' VAL . 1.9 t -108.15 125.38 51.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.4 p -88.7 134.13 34.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.4 1.063 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.857 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -153.86 168.41 26.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.573 1.17 . . . . 0.0 109.309 -179.938 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.857 ' H ' HD13 ' A' ' 67' ' ' LEU . 63.8 m -106.6 140.88 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 179.956 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' THR . 39.2 t -88.74 80.05 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -88.25 63.33 7.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 28.4 ttp180 -43.63 -29.43 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 110.305 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -96.42 128.22 43.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 110.064 179.97 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.549 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 162.21 172.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.568 1.167 . . . . 0.0 110.973 -179.964 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.505 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 15.1 tt0 -85.62 115.58 23.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.388 1.055 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.63 ' C ' ' HB3' ' A' ' 83' ' ' TRP . . . -90.16 177.7 42.94 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.631 1.207 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.482 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 6.0 m-85 -146.92 149.49 33.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.59 0.817 . . . . 0.0 111.099 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.029 HD12 ' HB ' ' A' ' 81' ' ' THR . 12.6 mt -90.41 157.31 17.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -90.75 -23.92 20.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.072 -179.968 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -63.53 -49.72 72.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.9 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.81 -28.0 0.22 Allowed Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.441 1.088 . . . . 0.0 111.046 -179.952 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 81' ' ' THR . . . . . 1.029 ' HB ' HD12 ' A' ' 77' ' ' LEU . 57.5 m -75.52 172.3 12.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.61 0.829 . . . . 0.0 110.475 179.95 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.511 ' N ' HG22 ' A' ' 81' ' ' THR . 0.0 OUTLIER -106.12 157.51 17.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 1.023 ' CZ2' HG21 ' A' ' 40' ' ' VAL . 2.8 t90 -103.85 -89.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 108.084 179.909 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.705 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 96.57 -112.33 4.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.046 179.97 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.923 HG22 ' H ' ' A' ' 87' ' ' ASP . 3.8 m 77.53 -60.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.469 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.731 HG23 ' C ' ' A' ' 85' ' ' THR . 2.8 t 85.02 -13.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.923 ' H ' HG22 ' A' ' 85' ' ' THR . 44.9 t0 -142.69 97.4 3.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.413 1.071 . . . . 0.0 109.423 179.901 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 24.2 t -87.77 54.2 3.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 108.266 -179.935 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.6 t -98.09 -10.84 23.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 1.185 . . . . 0.0 110.469 179.926 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 m -88.77 -54.35 4.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 110.396 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.529 ' HB3' HG23 ' A' ' 40' ' ' VAL . . . -91.15 138.82 31.3 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -70.78 114.06 8.48 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.346 1.029 . . . . 0.0 109.225 -179.852 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.47 127.61 35.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.409 1.068 . . . . 0.0 108.25 -179.958 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 0.7 OUTLIER -105.82 122.19 45.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.948 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.882 HG22 ' HB3' ' A' ' 36' ' ' GLN . 21.4 t -90.12 119.9 38.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.452 ' O ' H183 ' A' ' 130' ' ' NCZ . . . -171.77 -179.74 42.95 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.86 ' O ' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -104.7 140.48 37.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 0.763 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.0 p -106.78 156.11 19.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.972 -179.958 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.604 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -68.86 161.93 27.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.408 179.973 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.73 -0.53 57.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.91 -37.03 22.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.72 43.84 0.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.4 ' HA ' ' H16' ' A' ' 130' ' ' NCZ . 8.7 m-80 -148.88 145.31 27.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.404 0.708 . . . . 0.0 109.211 -179.975 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.42 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -138.98 63.38 0.55 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.514 1.134 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.3 Cg_endo -75.16 -24.42 12.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.658 1.873 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.13 141.23 28.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.226 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 152.74 148.39 4.86 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.42 1.075 . . . . 0.0 110.965 179.916 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 0.9 OUTLIER -105.22 143.62 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.352 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.3 98.12 5.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 109.225 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.517 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -92.73 142.38 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.37 1.044 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.736 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER 157.77 -65.5 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.941 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -147.11 132.44 18.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 179.958 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.5 t30 . . . . . 0 C--N 1.323 -0.554 0 O-C-N 124.594 1.184 . . . . 0.0 109.238 -179.868 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.768 ' H14' HD13 ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.492 ' HB1' ' OG1' ' A' ' 6' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.679 ' N ' ' CD ' ' A' ' 3' ' ' PRO . . . -81.44 -41.11 1.07 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 2' ' ' ALA . 18.2 Cg_endo -75.01 124.54 8.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.805 ' HB ' HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER 51.13 176.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.521 1.138 . . . . 0.0 110.488 179.977 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.594 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -86.17 134.54 33.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.163 . . . . 0.0 109.349 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.72 ' C ' HG13 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -134.31 146.68 50.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.386 -179.969 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.643 HG13 HG21 ' A' ' 19' ' ' VAL . 2.8 t -71.25 122.27 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.761 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -34.4 -68.86 0.17 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.426 179.996 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.929 ' HG3' HG11 ' A' ' 19' ' ' VAL . 18.5 Cg_endo -74.81 -152.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 111.052 179.86 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.483 ' OG ' HD23 ' A' ' 13' ' ' LEU . 93.9 p -98.58 -26.96 14.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 11' ' ' SER . . . . . 1.016 ' HB3' HG21 ' A' ' 69' ' ' VAL . 0.4 OUTLIER 54.39 163.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.084 -179.909 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.28 -39.61 3.05 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.773 HD12 ' N ' ' A' ' 14' ' ' SER . 1.3 pp -62.88 -20.63 65.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 0.727 . . . . 0.0 109.258 179.946 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.773 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -146.82 110.98 5.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.936 -179.928 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.404 ' O ' ' OD2' ' A' ' 15' ' ' ASP . 2.4 p30 -69.45 53.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.329 1.018 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 14' ' ' SER . . . -175.11 24.31 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.372 1.045 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.632 ' HB ' HG12 ' A' ' 69' ' ' VAL . 3.0 m -91.74 105.85 18.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 0.798 . . . . 0.0 110.434 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.433 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 2.4 p -97.43 118.62 44.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.396 179.944 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.929 HG11 ' HG3' ' A' ' 9' ' ' PRO . 14.4 m -144.73 -162.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.229 179.991 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -123.25 142.07 51.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 0.0 109.246 -179.949 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.72 HG13 ' C ' ' A' ' 6' ' ' THR . 8.3 t -112.13 86.82 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.934 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -87.76 138.99 30.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.6 1.188 . . . . 0.0 109.278 -179.936 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.503 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -147.47 143.37 11.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.155 . . . . 0.0 111.041 -179.953 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -123.89 103.2 8.2 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.676 0.868 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.79 0.99 7.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.597 1.185 . . . . 0.0 111.054 -179.916 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.805 HD13 ' HB ' ' A' ' 4' ' ' THR . 9.0 tp -77.67 -141.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 0.783 . . . . 0.0 109.279 -179.911 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.968 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.1 mp0 -48.2 90.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.193 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.52 83.99 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 70.22 19.38 75.76 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.415 1.072 . . . . 0.0 111.083 -179.858 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.508 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.76 -178.09 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 0.723 . . . . 0.0 110.474 -179.981 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.711 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -145.85 100.75 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.185 -179.94 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.635 ' CD2' ' CG ' ' A' ' 27' ' ' GLN . 17.8 m-30 -116.47 171.24 7.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -90.65 119.51 30.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.183 -179.879 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.73 HG21 ' OG1' ' A' ' 65' ' ' THR . 0.5 OUTLIER -80.48 143.59 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.934 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.637 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 170.33 157.5 12.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.395 1.06 . . . . 0.0 110.941 179.931 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.76 ' CG ' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.46 91.31 7.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 0.788 . . . . 0.0 110.285 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.684 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 5.5 t -106.2 161.12 14.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 108.26 -179.997 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 164.38 171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 179.988 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.567 ' CD1' ' HG ' ' A' ' 45' ' ' LEU . 5.8 m-90 -66.39 102.8 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.542 ' CG2' ' N ' ' A' ' 41' ' ' ASP . 2.2 m -88.83 -53.46 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.347 1.029 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.542 ' N ' ' CG2' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -88.61 -165.69 1.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 179.946 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.2 m -68.12 91.51 0.36 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.511 179.916 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.19 15.79 61.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.491 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 19.0 t -97.45 107.92 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.536 0.786 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.786 HD13 ' H14' ' A' ' 130' ' ' NCZ . 0.3 OUTLIER -74.6 101.83 4.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.805 ' CB ' HD23 ' A' ' 77' ' ' LEU . . . -119.2 167.26 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.863 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.597 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 1.4 m -130.74 144.54 51.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.308 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.633 ' OD1' ' CZ ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -66.3 169.63 6.93 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.911 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.589 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.01 -11.65 21.46 Favored 'Trans proline' 0 C--N 1.362 1.248 0 O-C-N 124.401 1.737 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.55 16.32 24.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.429 1.081 . . . . 0.0 109.24 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.637 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -89.06 8.19 31.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.634 1.209 . . . . 0.0 109.26 -179.946 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.589 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -108.81 90.52 3.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 111.03 -179.968 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.625 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -151.01 85.14 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.94 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 3.7 t -39.52 152.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.706 1.254 . . . . 0.0 110.025 -179.951 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.909 HG21 ' HB ' ' A' ' 65' ' ' THR . 3.4 p -168.59 146.4 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.52 1.138 . . . . 0.0 109.256 -179.917 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.711 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -130.45 150.55 51.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.552 179.842 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.968 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -108.72 155.58 20.57 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.402 1.064 . . . . 0.0 109.303 -179.901 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -77.47 156.54 31.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.597 1.185 . . . . 0.0 109.286 179.915 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.75 -26.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.601 1.188 . . . . 0.0 109.322 179.914 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.455 ' N ' ' C ' ' A' ' 58' ' ' ASP . 26.7 t-20 -87.21 33.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 44.39 35.69 4.0 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.43 1.081 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -90.05 94.73 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 110.066 179.952 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.12 100.58 12.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.959 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 75.3 p -107.83 81.23 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 109.965 -179.933 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.909 ' HB ' HG21 ' A' ' 55' ' ' VAL . 9.7 t -104.73 118.66 37.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -110.61 141.17 44.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.014 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 tp -168.97 -175.25 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.45 HG23 ' HG3' ' A' ' 70' ' ' ARG . 12.4 t -107.49 136.39 47.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.016 HG21 ' HB3' ' A' ' 11' ' ' SER . 3.6 p -89.49 95.43 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.654 1.221 . . . . 0.0 109.26 -179.89 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.683 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 1.2 mtt-85 -95.5 67.1 2.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.1 . . . . 0.0 110.416 179.933 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.574 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 3.2 ttm180 -30.38 -38.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.421 1.076 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -96.35 134.12 39.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.086 179.958 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.709 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER 161.69 130.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 -179.973 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 83' ' ' TRP . 55.5 tt0 -87.28 105.6 17.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.576 1.173 . . . . 0.0 110.342 179.938 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.616 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -96.88 -145.79 19.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.483 ' HA ' ' O ' ' A' ' 81' ' ' THR . 8.2 m-85 -131.83 148.43 52.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.89 HD12 ' HB ' ' A' ' 81' ' ' THR . 1.3 mt -92.34 174.86 7.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.237 179.988 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.463 ' CD1' HG13 ' A' ' 44' ' ' VAL . 2.4 p90 -64.79 -29.23 70.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.54 -43.26 90.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.228 -179.939 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.77 -5.08 4.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.627 1.204 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.89 ' HB ' HD12 ' A' ' 77' ' ' LEU . 1.3 m -65.69 163.41 16.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.459 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -103.59 73.55 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.196 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.69 ' O ' HG22 ' A' ' 86' ' ' VAL . 5.6 t-105 -112.27 -81.78 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 107.968 179.94 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.728 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 55.7 87.08 0.02 OUTLIER Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.574 1.171 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.779 ' C ' HG23 ' A' ' 86' ' ' VAL . 1.0 OUTLIER 48.43 -76.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.401 0.707 . . . . 0.0 110.477 179.986 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.779 HG23 ' C ' ' A' ' 85' ' ' THR . 2.6 t 87.48 -40.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 89' ' ' THR . 4.9 t0 -156.56 81.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.378 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.493 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -68.3 60.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.438 1.087 . . . . 0.0 108.355 179.958 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 87' ' ' ASP . 13.9 t -88.01 -8.6 55.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.506 1.129 . . . . 0.0 110.508 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.2 m -150.24 -43.75 0.13 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.34 143.5 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.408 1.068 . . . . 0.0 109.329 179.934 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.14 111.65 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.385 1.053 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.12 128.18 37.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.362 1.039 . . . . 0.0 108.303 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.506 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 26.5 mt-30 -95.43 111.45 23.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.76 HG13 ' CG ' ' A' ' 36' ' ' GLN . 1.5 t -88.6 103.08 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.394 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.476 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -157.48 176.52 34.61 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.379 1.049 . . . . 0.0 111.002 -179.928 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.756 HD13 HG13 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -108.68 123.36 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.627 0.839 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -103.67 148.58 25.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.998 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.579 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -41.66 161.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 179.919 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.11 -11.36 58.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.414 ' HB3' ' OD1' ' A' ' 103' ' ' ASN . . . -87.73 -19.13 28.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.487 ' O ' ' H16' ' A' ' 130' ' ' NCZ . . . 87.65 45.97 5.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.616 1.198 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.414 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -138.17 144.07 40.55 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 0.738 . . . . 0.0 109.317 -179.936 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.19 112.4 3.1 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.579 1.174 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 59.03 5.13 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.434 1.755 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.681 ' O ' H181 ' A' ' 130' ' ' NCZ . 0.2 OUTLIER -89.77 145.69 25.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.068 . . . . 0.0 110.228 -179.999 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.476 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . 131.64 156.38 8.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.434 1.084 . . . . 0.0 111.056 -179.996 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.809 HG13 HD12 ' A' ' 110' ' ' ILE . 1.0 OUTLIER -102.31 143.26 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.375 0.691 . . . . 0.0 109.338 -179.974 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.39 95.96 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.809 HD12 HG13 ' A' ' 108' ' ' VAL . 1.1 mp -78.88 159.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 109.246 -179.993 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.483 ' O ' ' O ' ' A' ' 11' ' ' SER . 0.4 OUTLIER 163.77 -78.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 110.011 -179.872 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -163.63 141.12 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 111.043 179.901 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.45 ' N ' ' CB ' ' A' ' 10' ' ' SER . 17.2 p30 . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 109.398 -179.937 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 130' ' ' NCZ . . . . . 0.786 ' H14' HD13 ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.551 ' C ' HG23 ' A' ' 4' ' ' THR . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 111.047 -0.405 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.551 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.3 p 60.75 -148.05 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.462 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.712 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -75.2 118.52 18.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.616 ' HA ' HG11 ' A' ' 108' ' ' VAL . 1.1 p -145.22 145.57 31.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.479 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.96 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.1 t -75.12 142.62 14.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.53 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -49.02 -58.18 9.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.37 1.044 . . . . 0.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.977 ' HG3' HG11 ' A' ' 19' ' ' VAL . 17.8 Cg_endo -75.0 -160.85 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.529 ' HA ' HD11 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -136.76 -46.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.386 1.054 . . . . 0.0 109.937 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 111' ' ' SER . 23.7 p -70.19 59.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.606 1.191 . . . . 0.0 110.049 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.513 ' HA3' HG23 ' A' ' 110' ' ' ILE . . . -50.48 -19.02 2.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.005 HD23 ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER -69.93 60.32 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.497 0.763 . . . . 0.0 109.24 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -130.03 126.57 38.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.087 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 14' ' ' SER . 1.4 m-20 -36.01 94.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 41.84 67.62 0.81 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.767 HG22 HG12 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -76.24 127.62 33.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.402 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.84 HG13 ' OG1' ' A' ' 68' ' ' THR . 1.3 t -98.25 123.19 50.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.977 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -150.9 -172.49 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -111.59 137.72 49.07 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.609 HG22 ' HA ' ' A' ' 7' ' ' VAL . 76.0 t -113.66 108.71 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.412 1.07 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.05 131.49 35.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -114.59 92.95 0.62 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.521 1.138 . . . . 0.0 111.083 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.81 124.65 35.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.71 21.24 79.57 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.812 HD11 HD21 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -85.25 -142.64 0.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.357 0.681 . . . . 0.0 109.238 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.996 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.1 mm100 -54.69 89.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.24 84.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 79.69 0.9 85.97 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.522 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -89.17 -175.06 4.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 0.783 . . . . 0.0 110.34 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.818 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -146.51 149.26 33.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.685 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.4 m-30 -150.44 -167.33 2.79 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 72.8 m-20 -109.61 109.57 20.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.334 1.021 . . . . 0.0 109.382 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 65' ' ' THR . 1.2 t -78.37 140.74 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.601 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 173.01 160.68 22.04 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -93.95 101.08 13.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 0.0 110.376 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 4.8 t -106.97 150.3 26.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 108.353 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.512 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 177.37 168.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.362 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 45' ' ' LEU . 1.3 m95 -68.26 111.01 4.31 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.849 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -94.71 -46.1 13.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.605 ' OD2' ' CZ3' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -87.15 -162.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 m -64.86 76.27 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.344 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 72.36 14.25 77.06 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.454 1.096 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.717 HG11 ' HG ' ' A' ' 77' ' ' LEU . 27.0 t -90.05 116.34 31.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.569 0.806 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 3.6 tp -64.12 105.47 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.23 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.849 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -123.03 136.47 54.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.363 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 26.6 m -97.88 156.58 16.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.599 1.187 . . . . 0.0 108.229 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.522 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -79.84 162.64 61.75 Favored Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 124.419 1.074 . . . . 0.0 109.359 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.595 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 17.9 Cg_endo -75.11 -12.97 21.31 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.403 1.738 . . . . 0.0 110.951 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.26 14.24 25.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.601 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.47 10.86 16.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.595 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -106.61 91.85 3.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 111.003 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.529 ' HB3' HG12 ' A' ' 34' ' ' VAL . 28.8 t -150.52 91.47 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 110.08 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 53' ' ' SER . 25.4 p -33.17 148.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.055 . . . . 0.0 110.072 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.605 HG21 HG21 ' A' ' 65' ' ' THR . 0.3 OUTLIER -147.48 155.36 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.818 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -151.57 129.32 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 110.403 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.999 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -101.66 139.84 36.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.578 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -62.3 159.5 15.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.402 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.22 -29.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.437 ' N ' ' C ' ' A' ' 58' ' ' ASP . 13.0 t-20 -88.75 34.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.19 45.46 5.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.8 OUTLIER -109.15 97.74 7.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.593 0.819 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.999 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.14 84.11 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.7 m -93.25 80.58 4.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.898 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.802 HG21 HG21 ' A' ' 34' ' ' VAL . 15.1 t -107.05 138.65 42.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.585 1.178 . . . . 0.0 110.459 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.87 137.43 46.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.423 1.077 . . . . 0.0 110.135 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.81 177.81 11.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.84 ' OG1' HG13 ' A' ' 18' ' ' VAL . 95.4 m -106.68 135.73 47.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.156 . . . . 0.0 110.361 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.767 HG12 HG22 ' A' ' 17' ' ' THR . 12.3 p -87.57 87.72 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -87.76 78.19 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.474 ' HD3' ' CA ' ' A' ' 89' ' ' THR . 6.2 ttm180 -52.42 -33.24 42.99 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 2.5 p -93.41 134.08 36.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.59 1.181 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.515 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 162.26 177.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.467 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 27.0 tt0 -89.26 111.61 22.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.9 160.74 35.66 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.554 1.159 . . . . 0.0 111.044 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.498 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -138.23 128.27 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.0 111.02 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.731 HD12 ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -62.95 145.79 54.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.636 1.21 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 45' ' ' LEU . 3.4 p90 -76.04 -18.12 59.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.27 -48.17 82.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.386 1.054 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.6 -24.94 0.31 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.059 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 89.0 m -88.67 158.57 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 110.329 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 1.4 ptp180 -108.04 145.69 33.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.16 . . . . 0.0 110.426 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.624 ' CD1' HG13 ' A' ' 40' ' ' VAL . 73.7 t-105 -105.56 -91.22 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 108.033 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.474 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 138.99 -68.82 0.49 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.623 1.202 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.741 ' C ' HG23 ' A' ' 86' ' ' VAL . 1.2 m 67.04 -61.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.359 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.741 HG23 ' C ' ' A' ' 85' ' ' THR . 2.9 t 86.83 -35.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.495 ' N ' HG22 ' A' ' 85' ' ' THR . 0.7 OUTLIER -138.88 107.17 5.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.245 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 15.1 t -89.74 57.88 4.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 108.278 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.474 ' CA ' ' HD3' ' A' ' 71' ' ' ARG . 8.8 t -100.81 -13.34 18.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.7 m -88.48 -57.55 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -89.9 124.59 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.31 120.02 7.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.595 1.185 . . . . 0.0 109.292 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.99 126.52 35.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 108.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.475 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 25.3 mt-30 -97.32 116.33 29.33 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.467 HG22 ' HG2' ' A' ' 36' ' ' GLN . 3.4 t -87.82 110.22 20.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 109.234 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.52 -177.45 37.17 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.566 1.166 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.812 HD21 HD11 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -106.57 155.68 19.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.582 0.813 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -104.33 148.32 26.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.634 1.209 . . . . 0.0 109.885 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.616 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -94.54 159.23 15.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 1.178 . . . . 0.0 109.214 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.65 14.82 10.73 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.546 1.154 . . . . 0.0 109.238 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.34 -30.46 12.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.18 40.93 1.59 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.407 1.067 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.8 160.3 39.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 109.262 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -129.52 66.72 0.57 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -37.69 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.494 1.786 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.23 147.79 23.96 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 143.44 110.25 0.74 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.356 1.035 . . . . 0.0 111.047 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.616 HG11 ' HA ' ' A' ' 6' ' ' THR . 4.1 p -100.56 118.74 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.598 0.822 . . . . 0.0 109.292 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.03 87.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.422 1.077 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.529 HD11 ' HA ' ' A' ' 10' ' ' SER . 3.0 tp -86.29 153.44 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 1.005 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.601 1.188 . . . . 0.0 109.925 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.641 ' C ' HG23 ' A' ' 4' ' ' THR . 18.6 Cg_endo . . . . . 0 N--CA 1.455 -0.775 0 N-CA-C 110.941 -0.446 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.641 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.2 p 63.34 -146.63 0.34 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.622 ' H ' HD23 ' A' ' 26' ' ' LEU . . . -77.54 109.92 11.9 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.474 1.109 . . . . 0.0 109.43 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -146.07 148.67 32.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.887 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -81.39 139.96 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.487 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -38.83 -56.17 2.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.381 1.051 . . . . 0.0 110.39 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.887 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.95 -159.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.448 1.762 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.14 -58.31 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.22 168.84 17.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.936 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.66 31.4 58.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.569 1.168 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.704 HD22 HG21 ' A' ' 17' ' ' THR . 76.9 mt -88.83 165.66 14.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 0.774 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.8 t -127.78 153.04 47.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.09 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.28 83.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.342 1.027 . . . . 0.0 109.35 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 126.7 33.71 0.64 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.406 1.066 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.704 HG21 HD22 ' A' ' 13' ' ' LEU . 97.6 m -86.61 103.22 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.62 0.835 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.52 123.78 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.228 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.804 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -149.28 -177.76 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -103.49 134.75 46.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.364 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.6 t -114.66 103.02 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -87.93 134.26 33.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.13 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -120.14 66.38 0.42 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.442 1.088 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.85 118.22 17.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 72.84 41.76 48.2 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.622 HD23 ' H ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -104.93 -95.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.587 ' OE1' ' CD1' ' A' ' 32' ' ' TYR . 6.3 mm-40 -61.26 -13.48 19.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.401 1.063 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 68.61 8.48 6.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 118.58 -0.05 15.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.093 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.649 HG22 ' H ' ' A' ' 31' ' ' ALA . 3.0 m -80.43 -157.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.482 0.754 . . . . 0.0 110.46 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.649 ' H ' HG22 ' A' ' 30' ' ' THR . . . -140.89 114.84 9.08 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.565 1.165 . . . . 0.0 109.29 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.609 ' CE1' ' HA ' ' A' ' 99' ' ' ASP . 1.1 m-30 -123.24 -175.12 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.452 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.6 m-20 -102.74 127.45 49.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 0.0 109.301 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.748 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -90.53 131.72 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.631 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . -179.37 149.99 9.09 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.642 1.214 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.634 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -93.64 109.56 21.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.623 0.837 . . . . 0.0 110.38 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -108.08 151.73 25.48 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.501 1.126 . . . . 0.0 108.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.58 ' HB1' ' O ' ' A' ' 92' ' ' ALA . . . -171.0 162.92 7.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.544 ' CD1' ' O ' ' A' ' 39' ' ' TRP . 18.4 p90 -74.36 110.43 8.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.667 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -98.09 -48.18 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.607 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 2.3 t0 -73.47 -154.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 42' ' ' THR . 14.7 t -78.51 54.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.068 . . . . 0.0 110.447 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.28 2.39 54.09 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.6 1.188 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 14.6 t -82.39 118.87 30.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.446 0.733 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 mt -68.64 100.16 1.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.477 ' HB2' HD23 ' A' ' 77' ' ' LEU . . . -109.52 144.86 37.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.9 m -108.93 153.17 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.607 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -86.99 178.95 1.96 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.667 1.229 . . . . 0.0 109.369 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -75.0 -16.31 20.27 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.562 1.822 . . . . 0.0 111.097 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.44 12.51 31.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.603 1.189 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.631 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.9 t70 -88.42 -0.87 57.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.607 1.192 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 5.1 m-85 -107.85 91.03 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.525 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -147.91 81.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.962 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' SER . 52.4 p -37.13 129.78 0.89 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.539 1.149 . . . . 0.0 110.046 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.846 ' CG2' HG21 ' A' ' 65' ' ' THR . 3.2 t -143.25 151.91 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.6 1.188 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.583 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -132.35 146.38 51.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.407 1.067 . . . . 0.0 110.478 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.481 ' CB ' ' HB2' ' A' ' 27' ' ' GLN . . . -99.12 137.6 37.41 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.654 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -58.69 159.35 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.359 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.79 -32.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.386 1.054 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 58' ' ' ASP . 38.6 t30 -88.56 35.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.37 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 39.64 43.45 2.26 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.621 1.201 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 19.3 m -116.29 103.86 10.91 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.583 0.814 . . . . 0.0 109.949 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -103.09 95.61 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.368 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.5 p -98.78 82.27 2.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.846 HG21 ' CG2' ' A' ' 55' ' ' VAL . 31.3 m -109.26 136.14 49.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.41 ' O ' HD22 ' A' ' 67' ' ' LEU . 89.3 p -90.42 125.48 35.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.494 HD23 HG11 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -137.5 163.64 30.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 17' ' ' THR . 5.3 t -106.08 137.31 44.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.348 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.514 HG21 HD13 ' A' ' 13' ' ' LEU . 21.2 t -89.35 87.08 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.691 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -95.19 70.86 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -36.73 -32.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -88.63 136.77 32.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.395 1.059 . . . . 0.0 110.022 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.691 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER 168.09 -178.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.462 1.101 . . . . 0.0 110.923 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -97.61 110.04 22.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.33 1.019 . . . . 0.0 110.353 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.66 145.85 34.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.619 ' CE1' ' O ' ' A' ' 77' ' ' LEU . 2.1 t80 -133.48 123.83 25.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 0.802 . . . . 0.0 111.002 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.787 HD21 ' HB2' ' A' ' 83' ' ' TRP . 7.5 mt -66.6 154.65 39.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -83.57 -27.62 29.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -56.89 -44.81 82.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.36 -21.63 0.74 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.602 1.189 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.707 ' HB ' HD12 ' A' ' 77' ' ' LEU . 45.2 m -82.55 158.55 23.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 0.798 . . . . 0.0 110.441 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -111.01 142.14 43.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.787 ' HB2' HD21 ' A' ' 77' ' ' LEU . 44.4 t-105 -101.44 -84.57 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 108.021 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.475 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 124.32 -74.48 0.4 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.587 1.179 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.73 ' C ' HG23 ' A' ' 86' ' ' VAL . 1.1 m 67.35 -62.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 0.716 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.73 HG23 ' C ' ' A' ' 85' ' ' THR . 3.3 t 88.55 -32.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.379 1.049 . . . . 0.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.572 ' H ' HG22 ' A' ' 85' ' ' THR . 29.2 t0 -138.42 115.89 11.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 13.0 t -88.99 55.87 3.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 108.342 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.7 t -96.06 -16.06 21.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 110.414 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.2 m -89.0 -56.81 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.456 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.65 156.75 17.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.19 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.58 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -88.81 122.41 32.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.679 1.237 . . . . 0.0 109.222 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.49 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -86.91 120.78 28.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.567 1.167 . . . . 0.0 108.339 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.501 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 20.3 mt-30 -99.41 116.12 30.83 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.634 HG22 ' HB3' ' A' ' 36' ' ' GLN . 41.8 t -88.88 123.75 41.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.096 . . . . 0.0 109.237 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -172.43 173.46 45.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.748 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -106.05 126.68 52.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.779 . . . . 0.0 109.36 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.03 170.66 7.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.093 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.609 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -64.43 161.23 17.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.21 -22.37 6.6 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.614 1.196 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.27 -27.21 26.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 99' ' ' ASP . . . 100.17 16.57 27.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -95.57 157.65 15.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.55 114.59 3.59 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.448 1.093 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 52.85 3.13 Favored 'Trans proline' 0 C--N 1.358 1.032 0 O-C-N 124.501 1.79 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -90.53 102.11 14.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.09 144.13 4.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.39 1.056 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 4.1 p -106.09 129.9 58.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.531 0.783 . . . . 0.0 109.192 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.541 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -62.84 91.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.779 HG21 HG21 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -106.47 138.13 33.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.554 1.158 . . . . 0.0 109.387 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 3.9 p . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.076 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.663 ' C ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.455 -0.777 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.663 HG23 ' C ' ' A' ' 3' ' ' PRO . 0.8 OUTLIER 62.48 -153.9 0.35 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.57 1.169 . . . . 0.0 110.432 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.657 ' HB2' ' CD2' ' A' ' 97' ' ' LEU . . . -73.13 125.67 28.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.391 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -139.19 148.7 43.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.371 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.918 HG21 HG21 ' A' ' 110' ' ' ILE . 84.7 t -86.04 126.06 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.724 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -30.4 -68.5 0.12 Allowed Pre-proline 0 C--N 1.323 -0.568 0 O-C-N 124.615 1.197 . . . . 0.0 110.432 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.892 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.98 -158.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 111.081 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.533 ' HA ' HD11 ' A' ' 110' ' ' ILE . 15.0 p -148.73 -75.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.8 t -108.59 149.12 29.33 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.477 1.111 . . . . 0.0 109.954 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.432 ' C ' HD23 ' A' ' 13' ' ' LEU . . . 97.59 28.08 8.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.572 1.17 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.713 ' N ' HD23 ' A' ' 13' ' ' LEU . 1.2 mt -86.08 164.55 17.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 109.213 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.586 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.7 OUTLIER -127.16 159.91 32.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.888 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.87 64.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.07 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 138.92 39.25 0.1 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.485 1.116 . . . . 0.0 111.115 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.776 ' O ' HG12 ' A' ' 69' ' ' VAL . 1.1 m -92.01 116.47 28.95 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.549 0.793 . . . . 0.0 110.27 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.426 HG23 ' H ' ' A' ' 18' ' ' VAL . 1.6 t -74.23 128.91 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.226 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.917 HG21 HG13 ' A' ' 7' ' ' VAL . 15.3 m -145.16 165.46 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -98.23 124.64 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.381 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.4 HG12 ' HB1' ' A' ' 5' ' ' ALA . 3.3 t -99.19 94.63 3.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.576 1.172 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.26 120.17 30.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.405 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.434 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -111.27 96.22 0.87 Allowed Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.428 1.08 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.01 103.34 15.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.394 0.702 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.24 14.59 25.74 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.531 1.144 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.711 ' HG ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -84.18 -143.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.726 . . . . 0.0 109.293 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.864 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 35.0 mm-40 -49.49 90.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -57.97 83.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 75.71 6.13 80.72 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.48 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.11 -176.52 4.63 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.533 0.784 . . . . 0.0 110.35 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.695 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -137.23 112.79 9.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 2.7 m-30 -117.46 170.97 8.31 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.453 1.096 . . . . 0.0 111.079 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -88.79 123.17 32.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 1.074 . . . . 0.0 109.28 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.698 HG23 HG11 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -85.35 139.33 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.582 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 163.75 144.14 3.94 Favored Glycine 0 CA--C 1.528 0.856 0 O-C-N 124.421 1.076 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.715 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 4.8 pm0 -92.45 119.12 31.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.363 0.684 . . . . 0.0 110.328 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 t -109.78 154.21 23.27 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.353 1.033 . . . . 0.0 108.394 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -167.44 153.32 7.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.358 1.037 . . . . 0.0 109.218 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.415 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 29.7 p-90 -69.76 106.72 3.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 107.96 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.893 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -90.1 -46.01 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.407 1.067 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.609 ' OD1' ' CH2' ' A' ' 83' ' ' TRP . 1.2 t0 -86.51 -166.37 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -61.97 79.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.423 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 67.65 24.51 74.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 26.0 t -100.47 106.25 18.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.361 0.683 . . . . 0.0 109.245 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 4.3 mt -57.43 95.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.893 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -102.42 132.24 48.57 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.608 1.193 . . . . 0.0 109.37 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.6 m -96.75 155.39 16.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 108.322 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.67 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -88.87 168.41 15.74 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.589 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.96 -8.66 20.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.582 1.833 . . . . 0.0 111.022 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.52 10.68 33.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.582 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -89.75 5.01 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.231 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 4.2 m-85 -107.05 88.97 2.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.082 . . . . 0.0 111.038 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.689 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -150.68 85.73 1.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.919 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 53' ' ' SER . 40.0 t -35.96 149.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.698 HG11 HG23 ' A' ' 34' ' ' VAL . 10.6 p -158.02 155.62 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.224 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.695 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -138.97 141.92 38.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 0.0 110.393 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 1.021 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -107.39 144.29 34.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -59.8 160.07 8.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.77 -32.22 0.21 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -88.34 35.87 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.368 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.78 42.61 4.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.425 1.078 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -102.34 95.8 6.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.758 . . . . 0.0 110.057 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 1.021 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.4 80.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 p -93.97 77.82 4.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.888 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.468 ' OG1' HG23 ' A' ' 55' ' ' VAL . 2.5 m -109.56 139.18 44.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.444 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.431 ' O ' HD12 ' A' ' 67' ' ' LEU . 52.5 p -97.73 135.01 40.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 110.075 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -145.64 171.21 15.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.364 1.04 . . . . 0.0 109.342 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.467 ' CG2' ' HA2' ' A' ' 16' ' ' GLY . 2.0 m -105.92 130.47 53.86 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.564 1.165 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.776 HG12 ' O ' ' A' ' 17' ' ' THR . 7.3 p -86.0 92.07 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.694 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 3.4 mtt180 -87.69 72.24 9.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.067 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 20.7 ttp180 -38.54 -36.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.193 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.554 ' C ' ' CG ' ' A' ' 73' ' ' PHE . 4.0 m -98.75 148.93 23.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 110.032 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.694 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 161.18 -172.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.953 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 1.2 tt0 -100.79 97.34 7.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.241 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.467 ' HA3' ' HG1' ' A' ' 85' ' ' THR . . . -66.14 162.17 43.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.585 ' CZ ' ' HG3' ' A' ' 82' ' ' ARG . 47.0 m-85 -142.57 124.02 14.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 0.796 . . . . 0.0 110.988 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 83' ' ' TRP . 18.1 mt -53.96 159.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.237 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 78' ' ' PHE . 2.1 p90 -73.24 -32.2 64.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.06 -51.55 65.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.87 -24.21 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.406 1.066 . . . . 0.0 110.965 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.0 m -74.56 149.11 40.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.585 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 5.4 ttm180 -90.53 142.61 27.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.697 ' CD1' HG13 ' A' ' 40' ' ' VAL . 76.3 t-105 -102.4 -89.22 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.119 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 74' ' ' GLU . . . 164.09 -67.59 0.22 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.844 HG23 ' CG2' ' A' ' 40' ' ' VAL . 2.0 m 78.7 -62.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.602 HG23 ' C ' ' A' ' 85' ' ' THR . 2.4 t 75.43 -77.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -128.88 110.17 11.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.18 . . . . 0.0 109.39 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 49.7 t -75.01 57.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 0.0 108.247 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.8 t -100.02 -25.4 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.384 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.0 m -88.81 -51.72 5.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.499 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -89.36 147.02 24.3 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.401 1.063 . . . . 0.0 109.227 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.825 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -86.01 122.79 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.354 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.603 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -91.09 119.34 31.15 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.498 1.123 . . . . 0.0 108.33 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.608 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 23.3 mt-30 -91.84 115.22 27.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.571 ' CG2' HG22 ' A' ' 110' ' ' ILE . 2.3 t -88.28 123.01 40.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -170.4 170.14 42.79 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.64 1.213 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.711 HD21 ' HG ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -106.33 118.22 36.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.1 p -90.44 159.88 16.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.905 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.577 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -57.32 163.71 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.15 -16.82 62.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.36 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.512 ' HB3' ' ND2' ' A' ' 103' ' ' ASN . . . -76.26 -23.04 54.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.1 39.1 3.61 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.625 1.203 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.512 ' ND2' ' HB3' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -146.23 157.98 43.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.407 0.71 . . . . 0.0 109.394 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.51 122.26 0.94 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -5.54 16.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.612 1.849 . . . . 0.0 111.057 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 130.68 43.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.02 130.64 1.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.084 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 p -106.61 125.86 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 O-C-N 124.472 0.748 . . . . 0.0 109.382 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.825 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -65.92 91.16 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.918 HG21 HG21 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -109.8 141.98 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.39 1.056 . . . . 0.0 109.334 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.2 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.941 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.92 -0.454 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 19.3 p 49.35 -125.96 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.818 ' HB2' HD21 ' A' ' 26' ' ' LEU . . . -81.93 119.35 23.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.608 1.193 . . . . 0.0 109.273 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -148.01 147.66 29.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.353 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.791 HG22 ' HD2' ' A' ' 9' ' ' PRO . 4.7 p -97.5 147.63 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.495 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -37.13 -56.19 1.56 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.176 . . . . 0.0 110.436 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.791 ' HD2' HG22 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.15 -177.92 3.83 Favored 'Trans proline' 0 C--N 1.362 1.259 0 O-C-N 124.406 1.74 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.46 ' HA ' HG12 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -150.23 -44.86 0.13 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.531 1.144 . . . . 0.0 109.914 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.7 m -134.04 -174.51 3.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 0.0 110.068 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 37.84 44.99 1.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.561 1.163 . . . . 0.0 110.988 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.92 HD12 ' N ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -73.78 167.39 21.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.625 0.838 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.92 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -116.59 144.4 44.43 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.16 . . . . 0.0 110.012 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -59.49 74.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 120.98 39.73 0.58 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.606 1.191 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.635 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.3 m -82.48 108.07 15.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.424 0.72 . . . . 0.0 110.393 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.5 t -78.85 127.15 39.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.692 HG11 ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -153.25 179.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -107.72 135.5 49.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.587 HG22 HG23 ' A' ' 7' ' ' VAL . 61.8 t -106.64 105.28 18.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.344 1.028 . . . . 0.0 109.313 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.79 132.96 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.352 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -109.29 86.58 0.45 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.592 1.183 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.5 100.05 11.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.3 32.12 8.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.592 1.182 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.818 HD21 ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -81.05 -149.11 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 0.716 . . . . 0.0 109.344 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.893 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -84.98 82.39 8.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.359 1.037 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.583 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . -59.2 118.08 5.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.623 1.202 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.99 -30.51 7.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 111.068 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.501 HG21 ' NE2' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.07 -178.63 5.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.61 0.83 . . . . 0.0 110.411 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.915 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -160.45 140.97 11.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.861 ' O ' HG12 ' A' ' 55' ' ' VAL . 20.7 m-85 -137.46 -179.84 5.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 111.058 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.455 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.7 m-20 -90.69 122.26 33.3 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.802 HG23 ' HB3' ' A' ' 97' ' ' LEU . 1.2 t -89.41 141.51 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.55 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 171.78 157.88 14.64 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.395 1.059 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.551 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.8 OUTLIER -91.5 107.62 19.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 110.318 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 1.3 t -107.18 150.16 26.92 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.506 1.129 . . . . 0.0 108.355 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.649 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -174.9 161.2 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.515 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 64.0 p-90 -66.27 109.54 2.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.519 1.137 . . . . 0.0 107.964 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.951 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -103.66 -47.66 10.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.617 ' CG ' HD21 ' A' ' 77' ' ' LEU . 4.5 t70 -91.99 170.44 9.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.079 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 44' ' ' VAL . 12.6 m -31.89 95.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.349 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 40.29 26.84 0.13 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 110.951 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.08 HG11 HD23 ' A' ' 77' ' ' LEU . 3.0 t -103.15 127.52 56.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.428 0.722 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.67 107.26 2.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.951 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -117.29 136.04 53.39 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.7 m -96.06 160.36 14.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 108.457 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.479 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -85.11 164.7 40.3 Favored Pre-proline 0 C--N 1.323 -0.565 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.663 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.97 -14.51 21.19 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.5 13.0 28.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.242 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.575 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.86 9.99 22.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.388 179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.663 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 2.3 m-85 -105.2 89.09 3.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.376 1.048 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.522 ' OG ' ' CD2' ' A' ' 67' ' ' LEU . 7.1 t -149.71 89.83 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.973 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -35.21 151.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.981 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.872 HG23 ' HB ' ' A' ' 65' ' ' THR . 11.0 p -150.95 148.29 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.915 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -140.4 138.81 35.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.378 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.893 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -97.69 125.22 42.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.093 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.682 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -62.39 158.33 17.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.45 -33.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.167 . . . . 0.0 109.258 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 58' ' ' ASP . 20.2 t-20 -89.24 35.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.682 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.05 42.7 2.37 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.435 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 14.5 m -109.15 103.69 12.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 110.035 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.75 86.73 2.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.242 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.6 p -96.29 81.63 3.33 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.566 1.166 . . . . 0.0 109.95 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.872 ' HB ' HG23 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -109.23 127.25 54.1 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 52.9 p -100.39 140.74 34.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 110.052 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.522 ' CD2' ' OG ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -153.51 -174.72 5.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 109.213 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.504 HG23 ' CG ' ' A' ' 70' ' ' ARG . 14.4 t -103.85 129.71 51.35 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 124.448 1.093 . . . . 0.0 110.441 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 17' ' ' THR . 24.5 t -89.72 85.83 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.416 1.073 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.504 ' CG ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -102.5 103.58 13.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.373 1.046 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.439 ' HB2' HD11 ' A' ' 13' ' ' LEU . 15.3 ttp180 -76.3 -31.89 58.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.234 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 27.8 m -94.19 129.35 40.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.481 ' HB3' ' CG ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 163.3 177.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.491 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 3.0 tp10 -80.77 120.86 25.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.11 159.89 26.77 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -133.14 127.96 35.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.96 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.08 HD23 HG11 ' A' ' 44' ' ' VAL . 4.0 mp -67.86 151.11 47.69 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.388 1.055 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -79.89 -17.89 52.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.43 -48.09 82.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.235 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.15 -26.18 0.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.398 1.061 . . . . 0.0 111.054 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.45 HG23 HD13 ' A' ' 77' ' ' LEU . 6.5 t -90.11 168.97 11.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 0.78 . . . . 0.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -112.56 148.7 33.97 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.786 ' HB2' HD11 ' A' ' 77' ' ' LEU . 37.9 t-105 -103.48 -89.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 142.4 -76.17 0.31 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.366 1.041 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.939 ' O ' HG22 ' A' ' 86' ' ' VAL . 1.4 m 66.73 -61.47 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 0.729 . . . . 0.0 110.41 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.939 HG22 ' O ' ' A' ' 85' ' ' THR . 0.8 OUTLIER 80.45 -22.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.722 ' H ' HG22 ' A' ' 85' ' ' THR . 2.1 t0 -141.24 103.67 4.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 42.0 t -91.2 43.14 1.13 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.68 1.237 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t -89.64 -14.1 35.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.379 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.7 m -88.65 -51.7 5.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.461 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.2 116.9 29.19 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -53.49 110.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.649 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -83.49 123.83 30.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.423 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.551 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.9 pt20 -101.72 117.55 35.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.507 HG22 ' HB3' ' A' ' 36' ' ' GLN . 2.8 t -86.04 109.2 18.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -156.54 177.71 33.38 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.802 ' HB3' HG23 ' A' ' 34' ' ' VAL . 1.5 pt? -106.23 117.67 34.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.425 0.721 . . . . 0.0 109.33 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.6 t -83.24 129.54 35.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.446 ' HA ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -64.53 161.85 16.57 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.26 10.94 15.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.66 -17.0 24.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.149 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.455 ' C ' ' ND2' ' A' ' 103' ' ' ASN . . . 102.22 42.5 2.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.087 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.455 ' ND2' ' C ' ' A' ' 102' ' ' GLY . 0.2 OUTLIER -140.84 152.4 45.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 0.743 . . . . 0.0 109.195 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.444 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -135.35 62.15 0.62 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.3 Cg_endo -75.11 -32.49 5.21 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.98 141.17 30.53 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.644 1.215 . . . . 0.0 110.336 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 95' ' ' VAL . . . 144.17 126.78 1.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 110' ' ' ILE . 2.1 p -105.37 123.35 59.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.509 0.77 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -59.89 87.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.661 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.1 OUTLIER -92.52 138.65 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 8.0 p . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 110.054 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' THR . 18.7 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 111.06 -0.4 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.424 ' O ' ' HA2' ' A' ' 23' ' ' GLY . 3.5 p 36.37 -149.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.451 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.853 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -83.31 122.21 28.14 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.551 1.157 . . . . 0.0 109.216 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -143.57 143.45 31.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.565 HG22 ' CG2' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -74.19 130.6 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.618 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.71 -63.07 0.32 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.339 1.024 . . . . 0.0 110.385 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.913 ' CG ' HG11 ' A' ' 19' ' ' VAL . 17.8 Cg_endo -75.08 -160.75 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.549 1.815 . . . . 0.0 110.978 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.535 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 15.5 p -151.51 -70.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.891 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.04 158.1 19.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.53 26.2 30.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.594 1.184 . . . . 0.0 111.012 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.026 HD12 HG23 ' A' ' 110' ' ' ILE . 83.8 mt -90.64 150.44 21.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.556 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.0 t -123.3 156.83 34.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.894 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.428 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 5.5 p-10 -58.16 79.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.573 ' HA2' HG22 ' A' ' 68' ' ' THR . . . 134.78 33.3 0.29 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.557 1.16 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.789 HG21 HD22 ' A' ' 13' ' ' LEU . 22.4 m -89.49 105.28 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 110.483 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.621 HG22 ' OG1' ' A' ' 68' ' ' THR . 21.8 t -73.79 116.81 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.913 HG11 ' CG ' ' A' ' 9' ' ' PRO . 1.7 m -141.91 171.84 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.373 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -115.75 127.07 54.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.39 1.056 . . . . 0.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.613 ' HB ' HG23 ' A' ' 65' ' ' THR . 2.1 t -94.09 110.33 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.55 126.25 35.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.666 1.229 . . . . 0.0 109.211 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.909 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -104.67 127.54 9.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.402 1.064 . . . . 0.0 111.01 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.84 102.63 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.402 ' HA2' ' HA3' ' A' ' 61' ' ' GLY . . . 76.88 29.22 57.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.639 1.212 . . . . 0.0 110.988 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.853 HD12 ' HB2' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -77.64 -143.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.582 0.813 . . . . 0.0 109.342 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.704 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 6.8 mm-40 -37.81 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 110.185 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.705 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . 28.7 87.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.209 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.17 -39.05 3.03 Favored Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.404 1.065 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.508 ' HB ' ' CD ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -90.89 -160.68 0.74 Allowed 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.312 0.654 . . . . 0.0 110.346 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.918 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -158.21 150.38 21.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.704 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.4 m-30 -144.56 170.14 16.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -90.5 118.57 30.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.439 1.087 . . . . 0.0 109.222 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.072 HG22 HD22 ' A' ' 97' ' ' LEU . 53.1 t -76.41 141.16 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.566 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 170.53 156.91 11.79 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.458 1.099 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 1.0 OUTLIER -92.56 102.69 15.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.576 0.809 . . . . 0.0 110.225 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 3.7 t -106.18 149.36 26.89 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.135 . . . . 0.0 108.321 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -175.43 166.56 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.602 1.189 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.503 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 45.8 p-90 -69.13 106.55 2.86 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 108.102 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.887 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -90.08 -46.3 14.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.584 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -90.65 -163.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.2 m -63.89 81.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 110.315 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.75 17.7 69.5 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.393 1.058 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.483 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 58.2 t -93.61 111.1 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.457 0.739 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.7 101.17 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.887 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -114.35 141.37 47.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 37.3 m -101.52 155.46 18.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 108.334 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.489 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -80.63 165.04 48.41 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.551 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.97 -16.19 20.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.567 1.825 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.53 13.75 29.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.611 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.59 12.89 13.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 4.1 m-85 -105.48 91.35 3.73 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.508 1.13 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.414 ' OG ' ' CD2' ' A' ' 67' ' ' LEU . 37.3 t -144.32 81.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.548 ' O ' HG23 ' A' ' 55' ' ' VAL . 27.0 t -40.74 142.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.649 1.218 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.809 ' HB ' HG23 ' A' ' 34' ' ' VAL . 1.1 t -159.69 161.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.918 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -134.16 151.49 51.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.618 1.199 . . . . 0.0 110.347 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' A' ' 27' ' ' GLN . . . -105.4 136.76 44.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.597 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -72.15 152.71 42.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.28 -32.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.205 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 58' ' ' ASP . 22.7 t-20 -88.13 38.0 0.83 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.383 1.052 . . . . 0.0 109.221 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.705 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . . . 39.46 33.43 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.454 1.096 . . . . 0.0 111.033 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -90.56 99.7 12.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 110.021 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.909 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . . . -105.01 78.76 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.61 1.194 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.9 p -89.13 84.1 6.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.027 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.673 ' OG1' HG21 ' A' ' 55' ' ' VAL . 6.1 t -105.67 159.68 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 p -134.04 127.42 32.22 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.594 1.183 . . . . 0.0 110.075 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.565 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -155.1 173.02 17.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.242 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.621 ' OG1' HG22 ' A' ' 18' ' ' VAL . 93.0 m -106.51 144.39 33.25 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.515 1.134 . . . . 0.0 110.33 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.542 HG21 HD13 ' A' ' 13' ' ' LEU . 10.6 t -92.18 81.88 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.546 1.154 . . . . 0.0 109.393 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.448 ' HD3' ' CA ' ' A' ' 16' ' ' GLY . 8.4 mmt180 -90.5 65.35 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 111' ' ' SER . 4.5 ttm180 -40.27 -33.16 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -89.1 129.48 35.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.01 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.527 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 162.27 173.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.623 1.202 . . . . 0.0 110.951 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.433 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 5.7 tp10 -82.4 112.38 19.3 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.494 1.121 . . . . 0.0 110.231 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.39 162.47 43.85 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.337 1.023 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 1.5 m-85 -138.74 133.04 31.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.023 HD23 HG23 ' A' ' 81' ' ' THR . 0.3 OUTLIER -71.37 157.02 38.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 109.181 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -87.06 -17.81 32.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -47.23 86.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.23 -26.08 0.31 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.442 1.089 . . . . 0.0 110.972 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 1.023 HG23 HD23 ' A' ' 77' ' ' LEU . 1.8 t -89.78 169.63 11.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.385 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.588 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 11.0 ptt-85 -113.82 152.07 31.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.654 ' CD1' HG13 ' A' ' 40' ' ' VAL . 62.8 t-105 -104.57 -86.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 107.964 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.506 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 128.29 -83.64 0.33 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.873 HG22 ' H ' ' A' ' 87' ' ' ASP . 2.8 m 67.99 -60.83 0.4 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 0.763 . . . . 0.0 110.461 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.736 HG23 ' C ' ' A' ' 85' ' ' THR . 2.8 t 85.16 -18.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.218 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.873 ' H ' HG22 ' A' ' 85' ' ' THR . 6.3 t0 -139.21 100.98 4.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 36.7 t -91.73 44.85 1.19 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.8 t -90.63 -12.63 36.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.4 m -87.84 -53.51 4.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -93.49 111.85 23.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.387 1.055 . . . . 0.0 109.2 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.63 112.45 0.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 109.239 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.47 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -80.42 126.55 31.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 108.306 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.541 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 15.1 mt-30 -96.65 116.99 30.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.467 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 3.6 t -86.72 120.66 36.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.465 ' C ' HD23 ' A' ' 97' ' ' LEU . . . -176.97 178.32 48.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.555 1.159 . . . . 0.0 111.051 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.072 HD22 HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -105.75 130.15 53.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.255 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.444 ' CB ' ' HB3' ' A' ' 105' ' ' PRO . 97.2 p -102.26 167.82 9.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.592 1.182 . . . . 0.0 110.054 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.674 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -89.84 157.59 17.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.561 1.163 . . . . 0.0 109.354 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.81 4.99 50.19 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.5 -32.59 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.91 51.26 0.96 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.048 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 105' ' ' PRO . 15.9 m-20 -114.49 154.05 28.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -34.05 94.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.558 1.161 . . . . 0.0 111.083 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.3 Cg_endo -75.0 144.25 30.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.596 1.84 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.06 129.58 37.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.654 1.221 . . . . 0.0 110.37 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -157.45 143.84 9.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.381 1.051 . . . . 0.0 111.059 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.49 ' CG1' HD13 ' A' ' 110' ' ' ILE . 3.7 p -105.33 118.72 53.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.406 ' N ' ' HG2' ' A' ' 94' ' ' GLN . . . -61.07 86.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 1.026 HG23 HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -105.59 159.59 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.8 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.036 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.41 ' O ' HG23 ' A' ' 6' ' ' THR . 18.0 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 110.919 -0.454 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 1.5 p 46.35 -146.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.397 1.061 . . . . 0.0 110.483 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.659 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -78.41 122.74 26.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -141.7 143.08 33.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.414 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.77 HG12 ' HD2' ' A' ' 9' ' ' PRO . 1.5 t -83.22 138.36 19.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.709 1.256 . . . . 0.0 109.15 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.5 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -38.5 -51.42 3.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.474 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.77 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.03 -174.39 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.455 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 6.9 m -152.56 -40.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.6 p -146.06 171.96 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.601 1.188 . . . . 0.0 109.954 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 13' ' ' LEU . . . 60.11 27.35 64.82 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.53 1.144 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.623 HD23 ' HB3' ' A' ' 111' ' ' SER . 0.2 OUTLIER -45.34 172.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 0.735 . . . . 0.0 109.286 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.551 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -132.95 149.73 52.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.07 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' SER . 6.6 p-10 -38.31 93.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.408 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 65.22 64.27 3.61 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.458 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 6.7 m -77.27 108.69 10.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.389 0.7 . . . . 0.0 110.507 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -75.62 119.83 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.407 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.694 HG11 ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -145.09 -178.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.6 1.187 . . . . 0.0 109.17 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -107.63 138.19 44.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.332 1.02 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 6' ' ' THR . 2.4 t -112.22 100.14 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.356 1.035 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.28 132.27 34.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -112.18 109.19 2.38 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.472 1.107 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.17 108.9 21.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.37 36.86 54.69 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.832 HD21 HD21 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -83.35 -124.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 0.775 . . . . 0.0 109.361 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.948 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 15.7 mm100 -40.87 -23.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.58 1.175 . . . . 0.0 110.379 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 67.14 9.38 6.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.353 1.033 . . . . 0.0 109.246 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 136.86 -11.25 3.94 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.493 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -80.3 -168.13 1.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 0.751 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.571 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -144.15 144.25 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.069 . . . . 0.0 109.402 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.852 ' HB2' HD12 ' A' ' 97' ' ' LEU . 2.0 m-30 -150.36 -167.03 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.511 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -113.78 127.86 56.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.933 HG23 HG11 ' A' ' 55' ' ' VAL . 1.1 t -89.53 150.87 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.103 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.636 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 168.78 152.12 7.55 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.681 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.3 104.78 16.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 0.708 . . . . 0.0 110.246 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.42 152.29 24.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.36 1.037 . . . . 0.0 108.264 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -178.09 161.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.418 ' CZ2' ' HA ' ' A' ' 91' ' ' ALA . 29.4 p-90 -62.44 116.19 4.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 107.944 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.03 HG22 ' OG1' ' A' ' 85' ' ' THR . 0.3 OUTLIER -102.61 -40.93 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.658 1.224 . . . . 0.0 109.228 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.5 ' HB2' HD22 ' A' ' 77' ' ' LEU . 1.8 t70 -83.65 -154.18 0.15 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.684 ' O ' HG23 ' A' ' 42' ' ' THR . 11.5 t -85.35 54.11 2.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.47 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.97 3.78 33.91 Favored Glycine 0 CA--C 1.532 1.156 0 O-C-N 124.466 1.104 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.435 HG23 ' HB3' ' A' ' 41' ' ' ASP . 8.6 t -91.53 114.8 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.804 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 108.54 1.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.975 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -118.98 140.6 49.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.2 m -99.45 158.65 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 108.256 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.552 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -88.45 170.93 10.18 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.379 1.05 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.01 -12.89 21.5 Favored 'Trans proline' 0 C--N 1.358 1.059 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.21 16.69 24.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.382 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.636 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.6 t70 -88.23 4.87 44.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -108.23 93.38 4.5 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.474 ' O ' ' C ' ' A' ' 54' ' ' SER . 8.6 t -150.38 86.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.051 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 53' ' ' SER . 88.5 p -33.04 148.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 110.065 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.933 HG11 HG23 ' A' ' 34' ' ' VAL . 9.3 p -153.47 159.36 3.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.676 1.235 . . . . 0.0 109.339 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.531 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 1.3 m -152.41 138.05 17.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.396 1.06 . . . . 0.0 110.481 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.948 ' HB3' ' HB2' ' A' ' 27' ' ' GLN . . . -105.22 130.23 53.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -59.27 159.24 7.97 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.335 1.022 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.81 -33.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.209 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' ASP . 22.7 t30 -88.18 36.44 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 0.0 109.343 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.644 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.18 38.05 1.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.411 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 16.4 m -98.82 94.37 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.108 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.925 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.56 89.24 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 109.337 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 m -97.33 80.39 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.846 HG21 HG21 ' A' ' 34' ' ' VAL . 3.9 t -108.08 132.36 53.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.1 p -95.88 142.12 28.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.909 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.821 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -152.96 168.08 27.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.631 1.207 . . . . 0.0 109.225 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.821 ' H ' HD13 ' A' ' 67' ' ' LEU . 14.9 t -105.02 134.87 47.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 110.419 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.515 HG12 HD22 ' A' ' 13' ' ' LEU . 21.7 t -87.49 88.1 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.633 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -87.23 87.5 7.45 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.477 1.111 . . . . 0.0 110.363 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.511 ' CZ ' HD11 ' A' ' 13' ' ' LEU . 4.3 ttm-85 -53.7 -34.05 57.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.302 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.618 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 86.5 p -104.79 128.48 52.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.375 1.047 . . . . 0.0 110.037 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.633 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -177.14 176.08 1.43 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.583 1.177 . . . . 0.0 111.065 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.43 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 2.1 tp10 -94.15 109.71 21.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 110.347 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.7 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -72.52 153.62 49.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.4 1.063 . . . . 0.0 110.977 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.53 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 2.6 m-85 -128.72 113.52 15.46 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 0.789 . . . . 0.0 111.01 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.799 HD21 ' HB2' ' A' ' 83' ' ' TRP . 23.6 mt -53.21 155.36 2.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -74.3 -31.87 62.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.48 -50.69 64.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.49 -22.86 0.56 Allowed Glycine 0 CA--C 1.532 1.128 0 O-C-N 124.583 1.177 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 43.9 m -80.7 153.0 28.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.611 0.83 . . . . 0.0 110.36 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.53 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -99.05 135.59 40.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.369 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.799 ' HB2' HD21 ' A' ' 77' ' ' LEU . 34.0 t-105 -97.53 -89.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.017 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.504 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 146.12 -75.39 0.29 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 1.03 ' OG1' HG22 ' A' ' 40' ' ' VAL . 15.7 m 68.7 -55.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.589 0.817 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.618 ' O ' ' HA ' ' A' ' 72' ' ' SER . 61.6 t 74.38 -104.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.371 1.044 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.449 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -62.49 110.54 1.71 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.378 1.048 . . . . 0.0 109.309 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 38.3 t -87.84 48.22 1.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 0.0 108.322 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.1 t -93.08 -17.93 23.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.5 m -89.1 -56.92 3.08 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.527 1.142 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.436 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -91.37 147.36 23.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.86 119.69 25.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.26 120.9 26.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 108.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 10.6 mt-30 -96.64 114.12 25.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 110.287 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.681 HG22 ' HG2' ' A' ' 36' ' ' GLN . 12.7 t -88.11 113.42 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -165.99 179.14 40.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.353 1.033 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.852 HD12 ' HB2' ' A' ' 32' ' ' TYR . 1.4 pt? -107.4 144.09 34.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 0.721 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 p -89.88 155.73 18.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -95.81 157.77 15.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.55 -0.82 31.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.58 -8.98 27.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 62.68 51.09 58.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.339 1.024 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 105' ' ' PRO . 69.5 m-20 -125.05 150.54 46.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -35.43 96.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.39 1.056 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.3 Cg_endo -75.09 176.62 9.68 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.539 1.81 . . . . 0.0 110.961 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.67 106.57 18.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -124.47 132.19 8.15 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.556 1.16 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 110' ' ' ILE . 6.7 p -101.55 119.2 49.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 109.3 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.0 83.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.378 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.542 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -101.47 125.34 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.623 ' HB3' HD23 ' A' ' 13' ' ' LEU . 2.3 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.947 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.469 ' HG2' HG21 ' A' ' 6' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.802 0 N-CA-C 110.841 -0.484 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 3' ' ' PRO . 30.0 p 47.74 -121.11 1.27 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 110.34 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 1.026 ' HB2' HD22 ' A' ' 26' ' ' LEU . . . -88.59 122.76 32.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.469 HG21 ' HG2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -148.54 151.84 35.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.512 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.048 HG12 ' HD2' ' A' ' 9' ' ' PRO . 5.4 t -83.93 133.52 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.582 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.68 -60.78 0.43 Allowed Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.577 1.173 . . . . 0.0 110.346 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.048 ' HD2' HG12 ' A' ' 7' ' ' VAL . 17.9 Cg_endo -75.04 -160.35 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.929 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.2 m -152.64 -62.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.056 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 t -125.26 162.08 25.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.61 1.194 . . . . 0.0 109.944 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.12 20.46 62.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.575 1.172 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.799 HD21 ' HG2' ' A' ' 9' ' ' PRO . 1.1 mp -73.49 160.44 31.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.228 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.9 t -123.83 152.01 42.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.992 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.6 80.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 124.77 37.35 0.55 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.097 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.0 m -88.04 104.87 17.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 0.735 . . . . 0.0 110.48 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.55 HG22 ' OG1' ' A' ' 68' ' ' THR . 11.9 t -75.1 119.29 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.951 HG11 ' HG3' ' A' ' 9' ' ' PRO . 2.4 m -141.47 176.95 3.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 4.3 ttpm? -110.09 129.17 55.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 0.0 109.345 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' THR . 2.7 t -101.95 108.74 24.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.424 1.078 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -90.12 132.92 35.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.237 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -108.28 87.17 0.48 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.513 1.133 . . . . 0.0 111.094 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.41 89.38 7.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 109.419 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.92 30.03 9.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.026 HD22 ' HB2' ' A' ' 5' ' ' ALA . 7.5 tp -78.48 -129.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.994 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.6 mp0 -71.39 98.01 1.72 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.0 91.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.62 1.2 . . . . 0.0 109.423 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 66.9 6.91 39.86 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.402 1.064 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.593 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -89.49 177.49 6.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 0.73 . . . . 0.0 110.294 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.841 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -146.86 116.91 7.28 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.498 1.123 . . . . 0.0 109.224 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.885 ' HB2' HD12 ' A' ' 97' ' ' LEU . 17.0 m-30 -123.22 -166.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.046 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 2.8 t0 -103.41 121.46 42.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.726 HG23 HG11 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -90.64 139.26 17.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.552 1.158 . . . . 0.0 109.412 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.545 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 174.0 153.42 9.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 0.0 111.103 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.763 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -92.54 111.16 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 0.0 110.278 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.688 ' SG ' HD11 ' A' ' 45' ' ' LEU . 1.8 t -108.79 153.26 23.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -177.3 159.09 1.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -64.35 115.71 5.35 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.499 1.125 . . . . 0.0 108.049 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.996 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -97.14 -42.6 11.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.238 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.595 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.9 OUTLIER -83.53 -153.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.35 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 42' ' ' THR . 10.2 t -80.85 52.68 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.366 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.11 0.26 35.64 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.58 1.175 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.61 HG11 HD23 ' A' ' 77' ' ' LEU . 18.9 t -81.83 112.43 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.631 0.842 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.688 HD11 ' SG ' ' A' ' 37' ' ' CYS . 2.2 tm? -60.0 107.9 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.249 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.996 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -119.74 138.15 53.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.085 . . . . 0.0 109.283 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.0 m -101.15 157.45 16.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 108.371 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.615 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 1.5 m120 -86.86 165.14 33.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.445 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -74.88 -9.64 21.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.73 12.23 31.2 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.558 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -87.98 7.79 29.48 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.474 1.109 . . . . 0.0 109.377 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 11.5 m-85 -105.51 87.75 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.183 . . . . 0.0 111.0 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.54 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -148.58 86.37 1.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.367 1.042 . . . . 0.0 109.993 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' SER . 54.2 p -36.07 149.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.025 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.726 HG11 HG23 ' A' ' 34' ' ' VAL . 9.9 p -151.09 157.07 5.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 109.239 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.841 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -148.08 137.64 22.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 1.055 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.65 131.6 53.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -51.3 159.56 0.66 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.94 -29.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.43 ' N ' ' C ' ' A' ' 58' ' ' ASP . 3.4 t-20 -88.71 34.09 0.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.91 43.68 6.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.7 OUTLIER -107.11 96.08 6.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 0.714 . . . . 0.0 110.035 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 1.055 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.97 87.24 2.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.1 p -94.85 78.02 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.87 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.666 ' HB ' HG23 ' A' ' 55' ' ' VAL . 1.2 t -108.8 132.27 54.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 15.2 p -98.96 143.62 29.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.669 HD12 ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -149.4 173.81 13.14 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.55 ' OG1' HG22 ' A' ' 18' ' ' VAL . 17.5 m -105.59 130.25 53.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.608 1.192 . . . . 0.0 110.351 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 69' ' ' VAL . 38.7 t -87.74 87.34 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.173 . . . . 0.0 109.32 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.632 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 35.4 mtt-85 -95.48 75.39 3.3 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.613 ' NH1' HG22 ' A' ' 89' ' ' THR . 1.4 ttp85 -37.47 -30.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.285 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.518 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 41.9 m -94.87 116.24 28.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.632 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -160.17 161.06 33.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.448 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 2.3 tp10 -86.37 94.23 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.074 . . . . 0.0 110.298 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.877 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -52.45 150.74 8.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -134.99 106.51 6.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 0.728 . . . . 0.0 110.934 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 81' ' ' THR . 1.6 mp -49.49 145.7 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -70.84 -25.36 62.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.64 -29.75 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.621 1.201 . . . . 0.0 109.237 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.7 -10.86 6.34 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.545 1.153 . . . . 0.0 111.072 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.781 ' O ' HD12 ' A' ' 77' ' ' LEU . 16.7 m -89.82 145.78 24.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.337 0.669 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -94.73 135.67 35.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.595 ' CE3' ' OD2' ' A' ' 41' ' ' ASP . 72.2 t-105 -103.79 -90.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 107.98 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.473 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 145.17 -81.86 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.693 ' OG1' HG22 ' A' ' 40' ' ' VAL . 2.2 m 66.76 -56.98 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 110.507 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.59 HG12 ' N ' ' A' ' 87' ' ' ASP . 95.2 t 71.31 -105.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 124.421 1.075 . . . . 0.0 109.257 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.59 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -50.59 110.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 41.9 t -90.06 43.9 1.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 108.248 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.613 HG22 ' NH1' ' A' ' 71' ' ' ARG . 71.8 p -88.12 -21.89 24.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 m -88.53 -56.75 3.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.362 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.435 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.72 155.19 18.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.645 1.216 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.08 126.66 36.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.16 . . . . 0.0 109.199 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.76 121.52 33.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.59 1.181 . . . . 0.0 108.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 16.4 mt-30 -99.15 113.15 25.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.351 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.535 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.6 t -87.54 113.16 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.387 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -161.62 176.02 38.14 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.413 1.07 . . . . 0.0 111.062 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.934 HD11 ' OE1' ' A' ' 27' ' ' GLN . 1.5 pt? -105.71 134.74 48.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.395 0.703 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.7 p -86.72 136.64 32.94 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.581 1.176 . . . . 0.0 109.993 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -70.18 160.8 31.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.385 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.42 0.3 46.73 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.393 1.058 . . . . 0.0 109.358 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -100.13 -11.5 20.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.236 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.35 52.82 11.65 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.43 1.081 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLY . 78.2 m-20 -121.55 144.07 48.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.579 0.811 . . . . 0.0 109.32 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.72 97.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.5 Cg_endo -75.05 168.2 25.33 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.11 108.15 19.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.62 1.2 . . . . 0.0 110.227 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -116.63 139.48 15.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 95' ' ' VAL . 14.9 p -100.6 122.88 53.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 0.73 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.96 88.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.609 HG13 HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -98.79 139.06 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.584 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.389 1.055 . . . . 0.0 109.981 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.602 ' O ' HG23 ' A' ' 6' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.457 ' O ' ' O ' ' A' ' 22' ' ' ALA . 71.3 p 44.36 -141.13 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 110.399 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.768 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -74.61 117.16 16.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -139.55 146.28 39.7 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.987 HG13 ' HB ' ' A' ' 19' ' ' VAL . 2.5 t -86.98 117.9 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.777 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -53.41 -70.31 0.29 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.913 ' HG2' HG12 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.98 55.56 3.97 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.642 ' HA ' HD11 ' A' ' 13' ' ' LEU . 91.5 p -88.05 24.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.46 126.62 53.65 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.414 1.071 . . . . 0.0 110.084 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.95 49.42 13.32 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.642 HD11 ' HA ' ' A' ' 10' ' ' SER . 3.2 mp -62.95 172.35 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -139.48 154.35 47.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.04 87.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 112.86 37.39 1.4 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.568 HG22 HG13 ' A' ' 19' ' ' VAL . 1.1 m -93.15 121.6 34.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.42 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -74.34 114.62 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.987 ' HB ' HG13 ' A' ' 7' ' ' VAL . 26.8 m -121.3 159.17 23.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.493 1.12 . . . . 0.0 109.235 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -106.63 113.9 27.68 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.55 HG12 ' HB1' ' A' ' 5' ' ' ALA . 3.1 t -88.98 93.89 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.46 117.36 28.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.449 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -98.53 97.94 1.95 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.09 98.47 10.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.769 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.29 32.82 10.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.876 HD11 HD21 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -95.23 -142.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 0.0 109.364 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.868 HE22 HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -49.59 90.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.08 75.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.606 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 85.27 3.28 87.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.505 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -93.67 -174.49 3.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 0.747 . . . . 0.0 110.453 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.741 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -146.97 145.04 29.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.622 1.201 . . . . 0.0 109.226 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.637 ' CD2' ' CG ' ' A' ' 27' ' ' GLN . 13.0 m-30 -142.98 -167.86 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 5.3 p-10 -103.39 114.33 28.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.435 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.847 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -88.32 133.83 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.619 1.199 . . . . 0.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.639 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . -178.17 153.41 12.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.356 1.035 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.662 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -92.33 104.0 16.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.232 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 1.8 t -106.65 151.16 25.44 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 177.05 163.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.7 m-90 -60.21 110.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 107.911 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.001 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -100.04 -39.24 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.429 1.081 . . . . 0.0 109.348 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.59 ' OD2' ' CZ3' ' A' ' 83' ' ' TRP . 3.7 t0 -84.63 -156.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.347 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.743 ' O ' HG23 ' A' ' 42' ' ' THR . 6.6 t -82.44 54.42 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.14 1.61 35.84 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.391 1.057 . . . . 0.0 111.054 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.483 HG23 ' HB3' ' A' ' 41' ' ' ASP . 4.9 t -89.38 122.15 40.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.602 0.825 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.404 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.4 OUTLIER -67.84 105.7 2.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.001 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -117.36 140.65 49.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 58.6 m -98.3 157.7 16.02 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 108.289 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.599 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -82.07 163.36 53.45 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.38 1.05 . . . . 0.0 109.347 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 73' ' ' PHE . 18.1 Cg_endo -74.98 -16.2 20.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.39 16.43 26.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.611 1.194 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.639 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -88.25 9.48 22.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.462 ' CD2' ' O ' ' A' ' 49' ' ' PRO . 1.8 m-85 -105.57 87.08 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.508 ' HB2' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -151.14 87.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 24.0 p -43.98 139.1 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.868 HG13 HE22 ' A' ' 27' ' ' GLN . 5.6 p -126.01 161.65 31.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.379 1.05 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.741 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -147.36 126.62 13.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.417 1.073 . . . . 0.0 110.518 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 1.013 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -104.07 132.21 50.55 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -50.29 158.66 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.611 1.195 . . . . 0.0 109.367 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.45 -28.87 0.14 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 58' ' ' ASP . 10.9 t30 -88.18 33.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.34 42.53 5.62 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.355 1.034 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.414 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 1.5 m -106.47 98.85 8.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.282 0.637 . . . . 0.0 109.969 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 1.013 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.12 79.2 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.628 1.205 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 m -94.29 71.92 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.683 HG21 HG23 ' A' ' 55' ' ' VAL . 70.2 p -111.39 136.99 49.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.3 p -99.15 142.07 31.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.758 HD12 ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -137.04 170.47 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.788 HG22 ' HG2' ' A' ' 70' ' ' ARG . 35.1 m -94.81 129.7 41.67 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.698 HG22 HD11 ' A' ' 110' ' ' ILE . 47.1 t -89.71 87.06 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.788 ' HG2' HG22 ' A' ' 68' ' ' THR . 0.6 OUTLIER -106.5 79.8 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.204 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.459 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -56.36 -29.6 61.61 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.426 1.079 . . . . 0.0 110.247 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 0.6 OUTLIER -85.6 111.91 20.49 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.351 1.032 . . . . 0.0 109.991 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 179.53 164.4 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 111.053 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.485 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 12.8 tt0 -81.42 118.74 22.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.371 1.045 . . . . 0.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.67 168.6 43.9 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.441 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -140.45 122.5 15.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.939 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.663 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -63.41 137.89 58.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -57.85 -26.84 62.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.89 -52.87 46.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 154.71 -21.7 0.61 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.466 1.104 . . . . 0.0 111.051 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.506 ' O ' HD22 ' A' ' 77' ' ' LEU . 91.4 m -87.34 148.07 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 0.815 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -90.88 141.98 28.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.621 1.2 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.612 ' HB2' HD11 ' A' ' 77' ' ' LEU . 58.1 t-105 -105.64 -90.98 0.4 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.501 1.126 . . . . 0.0 108.073 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.504 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 146.23 -80.66 0.22 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.542 ' O ' ' HB ' ' A' ' 86' ' ' VAL . 5.2 m 68.85 -56.41 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.602 0.825 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.542 ' HB ' ' O ' ' A' ' 85' ' ' THR . 60.5 t 76.82 -103.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 0.0 109.24 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.421 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -65.19 89.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.602 1.189 . . . . 0.0 109.371 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 13.7 t -73.59 60.54 0.68 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.474 1.109 . . . . 0.0 108.353 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.8 t -103.6 -12.15 17.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.4 m -89.98 -57.86 2.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 110.524 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.421 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.05 124.91 35.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.7 120.61 9.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.4 1.063 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.408 ' HB2' ' NH1' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -90.26 126.17 35.75 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.493 1.12 . . . . 0.0 108.37 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.555 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 6.4 mt-30 -98.06 110.63 23.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.036 HG21 HD12 ' A' ' 110' ' ' ILE . 19.1 t -86.54 105.3 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -153.85 175.4 32.16 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.546 1.154 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.876 HD21 HD11 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -108.77 135.71 49.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 0.739 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.44 133.9 36.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.941 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.63 160.97 31.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.94 11.36 16.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.43 -24.7 18.76 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.419 1.074 . . . . 0.0 109.247 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 110.31 38.68 1.61 Allowed Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.426 1.079 . . . . 0.0 111.063 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.65 152.63 48.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.468 0.746 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.427 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -134.89 62.77 0.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.2 Cg_endo -75.08 -26.35 10.87 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.456 1.766 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.92 142.54 35.04 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.79 109.76 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.944 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 95' ' ' VAL . 8.9 p -92.7 134.26 31.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.489 0.758 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.09 94.72 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.549 1.156 . . . . 0.0 109.375 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 1.036 HD12 HG21 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -71.02 118.54 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 10' ' ' SER . 7.9 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.832 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.427 ' O ' HG23 ' A' ' 6' ' ' THR . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.946 0 N-CA-C 110.93 -0.45 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.574 ' HB ' HD23 ' A' ' 26' ' ' LEU . 1.5 p 40.45 -149.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.434 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.416 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -78.72 117.55 19.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.565 1.165 . . . . 0.0 109.347 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -139.53 146.25 39.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.372 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.924 ' HB ' HD13 ' A' ' 110' ' ' ILE . 0.9 OUTLIER -87.43 127.75 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.733 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -28.79 -69.43 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 110.35 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.896 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.96 -159.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.559 ' HA ' HD11 ' A' ' 110' ' ' ILE . 6.1 m -148.43 -79.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.964 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.0 t -107.13 160.89 15.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.44 1.088 . . . . 0.0 110.072 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.82 30.19 32.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.417 1.073 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.643 ' CD1' HG11 ' A' ' 69' ' ' VAL . 9.7 mt -78.45 164.94 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.234 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.609 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.0 OUTLIER -125.87 149.7 48.47 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.458 1.099 . . . . 0.0 109.919 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -56.61 77.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.609 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 123.72 39.37 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.064 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 14' ' ' SER . 59.3 m -88.87 110.9 21.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.399 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -73.48 124.56 30.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.631 HG21 HG13 ' A' ' 7' ' ' VAL . 4.6 m -143.08 160.52 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -95.58 125.1 39.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.406 ' HB ' ' O ' ' A' ' 65' ' ' THR . 58.9 t -102.54 98.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -90.35 123.73 34.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.432 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -110.05 82.3 0.3 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.0 116.91 21.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.392 0.701 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.0 40.72 98.49 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.539 1.149 . . . . 0.0 111.053 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.644 HD13 ' N ' ' A' ' 27' ' ' GLN . 3.4 tm? -103.69 -94.65 0.32 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.62 0.835 . . . . 0.0 109.371 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.644 ' N ' HD13 ' A' ' 26' ' ' LEU . 15.0 mt-30 -48.81 -21.77 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.401 1.063 . . . . 0.0 110.292 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 71.26 6.65 5.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.671 1.232 . . . . 0.0 109.363 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.58 0.54 23.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.585 1.178 . . . . 0.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -80.54 -158.86 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 0.738 . . . . 0.0 110.428 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.729 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -136.65 115.54 12.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.412 1.07 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.563 ' CD1' ' HA ' ' A' ' 99' ' ' ASP . 16.3 m-30 -122.75 163.96 19.21 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.432 1.082 . . . . 0.0 110.985 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' SER . 22.4 m-20 -88.82 119.26 29.15 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.891 HG21 HG21 ' A' ' 65' ' ' THR . 61.0 t -78.04 131.86 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.369 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.586 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 173.42 150.62 7.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.746 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -93.93 113.97 26.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 110.278 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.72 148.38 30.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.254 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -170.06 159.75 7.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.209 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 14.9 p90 -69.92 111.72 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 108.021 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.802 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -95.07 -45.36 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.593 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -90.25 -163.32 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.402 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 m -66.46 83.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.353 1.033 . . . . 0.0 110.347 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.9 25.09 71.83 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.488 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 74.2 t -102.84 109.22 26.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 109.291 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.16 99.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.802 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -110.77 140.19 45.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.3 m -104.4 155.6 18.65 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.538 1.149 . . . . 0.0 108.225 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.637 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -84.97 169.48 16.25 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.64 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.13 -10.25 20.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.56 13.68 29.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.4 1.062 . . . . 0.0 109.384 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.586 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -90.07 6.83 40.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 2.2 m-85 -106.62 91.38 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -145.27 78.17 1.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 110.056 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p -45.69 139.34 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.65 HG21 ' OG1' ' A' ' 65' ' ' THR . 0.4 OUTLIER -164.0 161.33 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.729 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -132.79 158.41 42.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 110.29 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 1.085 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.89 152.95 23.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -66.06 158.76 27.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.234 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.61 -29.41 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 0.0 109.24 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 58' ' ' ASP . 3.5 t-20 -88.35 34.54 0.75 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.525 1.141 . . . . 0.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.59 41.45 3.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.43 1.081 . . . . 0.0 111.065 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 14.0 m -108.87 100.7 9.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 0.798 . . . . 0.0 110.037 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 1.085 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.19 86.86 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.355 1.035 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.8 p -88.51 76.87 8.14 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.585 1.178 . . . . 0.0 109.852 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.891 HG21 HG21 ' A' ' 34' ' ' VAL . 2.5 t -106.38 140.13 39.78 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 0.0 110.493 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.53 ' O ' HD22 ' A' ' 67' ' ' LEU . 51.1 p -103.84 139.31 39.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.53 HD22 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -145.34 168.73 19.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.2 t -104.21 133.78 48.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.373 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.643 HG11 ' CD1' ' A' ' 13' ' ' LEU . 81.3 t -88.44 85.95 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.684 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 2.6 mtp180 -89.5 71.74 7.95 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.518 1.137 . . . . 0.0 110.246 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 25.3 ttm180 -34.88 -33.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.526 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 1.0 OUTLIER -97.49 121.02 38.91 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.114 . . . . 0.0 110.08 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.684 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -167.62 170.04 11.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.938 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.436 ' OE1' ' CA ' ' A' ' 84' ' ' GLY . 5.0 tp10 -90.8 110.8 22.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.646 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -68.61 138.98 32.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.623 1.202 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.58 ' CE2' ' HG2' ' A' ' 82' ' ' ARG . 4.6 m-85 -122.91 109.88 14.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.973 HD23 HG23 ' A' ' 81' ' ' THR . 0.2 OUTLIER -58.43 132.79 54.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.391 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -59.29 -22.19 60.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -53.14 61.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.357 1.036 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.22 -27.04 0.43 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.973 HG23 HD23 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -82.57 150.04 27.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 0.726 . . . . 0.0 110.434 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.58 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -98.76 138.29 36.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.593 ' CE3' ' OD1' ' A' ' 41' ' ' ASP . 69.1 t-105 -100.67 -89.59 0.34 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.516 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 142.04 -81.3 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.637 ' OG1' HG22 ' A' ' 40' ' ' VAL . 1.2 m 69.02 -57.64 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 110.358 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.543 ' HB ' ' O ' ' A' ' 85' ' ' THR . 59.9 t 75.99 -102.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.415 ' N ' HG12 ' A' ' 86' ' ' VAL . 2.6 t0 -54.64 106.83 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 44.8 t -86.43 47.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.334 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.3 t -92.87 -20.86 20.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 m -88.35 -57.12 3.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.45 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.412 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.47 148.02 23.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.171 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -85.96 124.12 32.05 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -90.15 121.48 32.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.474 1.109 . . . . 0.0 108.401 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.583 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 29.1 mt-30 -96.31 112.45 24.19 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.639 1.212 . . . . 0.0 110.231 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.584 ' CG2' HG22 ' A' ' 110' ' ' ILE . 2.5 t -87.95 126.02 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.543 ' C ' HD13 ' A' ' 97' ' ' LEU . . . -177.14 169.53 41.85 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.898 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -106.94 113.38 26.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 0.743 . . . . 0.0 109.359 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 33' ' ' ASP . 8.9 t -98.12 164.13 12.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.923 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.563 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -52.76 163.49 0.46 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.84 -38.82 36.76 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.04 -27.84 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.227 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ASP . . . 94.42 20.29 30.16 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.555 1.159 . . . . 0.0 111.071 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -89.63 143.88 26.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.59 0.817 . . . . 0.0 109.196 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.52 123.04 5.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.56 1.163 . . . . 0.0 111.039 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 55.38 3.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.629 ' HG2' HD21 ' A' ' 26' ' ' LEU . 1.4 mp0 -90.84 99.62 12.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 172.42 145.36 4.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.396 1.06 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 11.2 p -105.4 130.61 56.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 O-C-N 124.438 0.728 . . . . 0.0 109.219 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -66.61 90.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.924 HD13 ' HB ' ' A' ' 7' ' ' VAL . 0.2 OUTLIER -112.18 144.33 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.383 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.3 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.041 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.621 ' HB ' HD22 ' A' ' 26' ' ' LEU . 3.9 p 44.97 -137.98 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.453 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.661 ' N ' HD23 ' A' ' 26' ' ' LEU . . . -79.69 133.0 36.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.594 1.184 . . . . 0.0 109.228 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.744 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -151.19 179.46 8.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.795 HG11 HD11 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -116.63 134.23 60.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.511 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -43.05 -57.26 5.3 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.56 1.162 . . . . 0.0 110.379 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.896 ' CG ' HG21 ' A' ' 19' ' ' VAL . 18.0 Cg_endo -74.99 -159.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.613 1.849 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' GLY . 50.4 m -148.66 -45.4 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.055 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 13' ' ' LEU . 67.7 m -69.37 63.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.657 ' CA ' HG21 ' A' ' 69' ' ' VAL . . . -39.42 -27.55 0.09 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.935 ' O ' HD12 ' A' ' 13' ' ' LEU . 4.0 pp -81.29 60.61 4.45 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.452 0.736 . . . . 0.0 109.238 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.659 ' O ' ' C ' ' A' ' 15' ' ' ASP . 41.3 t -127.43 81.8 2.04 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.618 1.199 . . . . 0.0 110.059 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.659 ' C ' ' O ' ' A' ' 14' ' ' SER . 2.1 m-20 16.73 78.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 69' ' ' VAL . . . 36.82 66.87 0.46 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.428 1.08 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.503 ' O ' HG12 ' A' ' 69' ' ' VAL . 1.0 OUTLIER -73.87 124.49 26.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 110.428 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.0 OUTLIER -93.85 126.9 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.896 HG21 ' CG ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -149.09 -168.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.368 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -117.71 138.45 52.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.744 HG13 ' O ' ' A' ' 6' ' ' THR . 2.6 t -104.28 114.98 45.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.94 139.99 30.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.434 1.084 . . . . 0.0 109.119 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.617 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -118.72 101.61 0.89 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.02 104.18 16.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.353 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.52 30.23 25.01 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.85 ' HG ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -90.87 -144.4 0.18 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 0.77 . . . . 0.0 109.336 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.928 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 21.0 mm-40 -51.51 89.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.81 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 74.86 7.21 80.5 Favored Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.548 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -89.81 -178.2 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.797 . . . . 0.0 110.335 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.613 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -137.23 116.67 12.79 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.121 . . . . 0.0 109.374 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 1.003 ' HB2' HD12 ' A' ' 97' ' ' LEU . 2.9 m-30 -118.45 -168.06 1.47 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 2.8 t0 -122.63 117.09 24.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 109.164 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.976 HG23 HG21 ' A' ' 55' ' ' VAL . 1.3 t -74.51 142.62 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.632 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 174.73 152.86 9.5 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.482 1.114 . . . . 0.0 111.064 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.598 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.74 101.26 13.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 5.3 t -106.22 149.83 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 108.333 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 92' ' ' ALA . . . -177.25 159.87 1.64 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.7 p90 -64.71 114.23 4.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 108.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.967 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -97.8 -42.73 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.603 ' OD1' HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -90.9 -161.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.7 m -68.25 79.16 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.75 25.04 75.99 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.547 1.154 . . . . 0.0 110.941 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.575 HG11 HD13 ' A' ' 77' ' ' LEU . 88.1 t -103.43 110.06 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.404 0.708 . . . . 0.0 109.378 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.9 mt -58.32 102.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.06 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.967 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -114.23 130.16 56.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 17.5 m -97.03 156.34 16.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 108.405 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.599 ' ND2' ' CE1' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -85.29 163.4 45.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.98 -8.77 20.39 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.72 15.78 23.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 109.265 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.632 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -88.35 12.9 12.88 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.53 1.144 . . . . 0.0 109.218 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 1.1 m-85 -105.6 94.95 5.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.494 ' HB3' HG12 ' A' ' 34' ' ' VAL . 42.4 t -145.17 81.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.079 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.9 p -45.7 133.14 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.37 1.044 . . . . 0.0 110.044 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.976 HG21 HG23 ' A' ' 34' ' ' VAL . 7.0 m -151.29 169.06 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.241 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.613 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -145.71 147.1 31.59 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.548 1.155 . . . . 0.0 110.39 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.928 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -107.5 146.87 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -66.49 158.24 30.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.625 1.203 . . . . 0.0 109.225 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.39 -28.01 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.443 ' N ' ' C ' ' A' ' 58' ' ' ASP . 5.1 t30 -88.66 33.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 44.6 40.6 6.51 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.638 1.211 . . . . 0.0 111.062 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -100.9 96.46 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 0.0 109.96 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.748 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -95.1 101.29 13.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.343 1.027 . . . . 0.0 109.363 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.4 m -100.16 83.8 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.373 1.045 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.772 HG21 HG21 ' A' ' 34' ' ' VAL . 2.6 t -106.54 167.12 10.06 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.8 p -146.81 139.32 24.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.077 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' A' ' 67' ' ' LEU . 7.1 tp -166.92 177.0 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.68 HG23 ' HG3' ' A' ' 70' ' ' ARG . 15.1 t -107.5 145.79 32.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.477 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.657 HG21 ' CA ' ' A' ' 12' ' ' GLY . 15.0 p -89.0 84.88 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.68 ' HG3' HG23 ' A' ' 68' ' ' THR . 9.2 mtt180 -88.21 77.98 8.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.347 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -40.31 -39.89 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 2.2 p -83.8 115.2 22.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.599 ' CE1' ' ND2' ' A' ' 48' ' ' ASN . 7.2 p90 -159.14 155.34 27.05 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.426 1.079 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.412 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 3.5 tp10 -86.93 93.23 9.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.673 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -50.03 155.07 2.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -143.4 107.31 4.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 0.726 . . . . 0.0 110.99 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.712 HD21 ' HB2' ' A' ' 83' ' ' TRP . 4.5 mt -48.58 129.67 16.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -54.26 -29.39 46.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.955 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -55.56 -50.79 69.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.375 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.44 -25.61 0.53 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.939 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.0 m -75.78 141.25 42.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.385 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -93.85 138.77 31.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.712 ' HB2' HD21 ' A' ' 77' ' ' LEU . 67.1 t-105 -105.13 -87.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 108.043 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.501 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 140.12 -83.01 0.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 111.072 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.502 ' OG1' HG22 ' A' ' 40' ' ' VAL . 1.4 m 67.79 -57.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.389 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 85' ' ' THR . 61.9 t 72.34 -103.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.474 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -54.04 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.499 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 49.4 t -74.81 59.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 108.35 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 t -100.61 -25.05 14.3 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.364 1.04 . . . . 0.0 110.338 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 m -89.06 -47.43 8.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.76 147.02 23.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.492 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -87.89 118.01 27.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.404 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -91.93 123.22 35.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 108.257 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.492 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 8.4 mt-30 -97.7 115.59 28.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.351 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.598 HG22 ' HG2' ' A' ' 36' ' ' GLN . 18.3 t -87.95 105.74 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.412 1.07 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -153.09 175.31 31.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.003 HD12 ' HB2' ' A' ' 32' ' ' TYR . 1.4 pt? -106.9 128.1 54.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 0.815 . . . . 0.0 109.227 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 99.7 p -89.1 162.64 15.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.961 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.524 ' OD1' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -88.91 159.03 17.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.39 0.45 29.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.29 -89.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.632 1.207 . . . . 0.0 109.301 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -172.17 34.3 0.14 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.414 1.071 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -147.65 158.45 44.01 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.578 0.811 . . . . 0.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -171.76 65.15 0.14 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.593 1.183 . . . . 0.0 111.06 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 1.24 7.93 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.84 ' HG2' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -85.95 144.23 27.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 110.212 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 148.87 130.4 1.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.623 1.202 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.7 p -93.83 127.46 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.588 0.816 . . . . 0.0 109.278 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.24 88.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.617 1.198 . . . . 0.0 109.171 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.795 HD11 HG11 ' A' ' 7' ' ' VAL . 1.7 tt -85.37 148.84 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.4 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.941 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.413 ' O ' HG23 ' A' ' 6' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.801 0 N-CA-C 110.908 -0.459 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.486 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.4 p 43.88 -158.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.451 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.769 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -65.66 119.54 11.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.221 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.2 p -147.55 148.64 31.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.422 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.019 HG12 ' HD2' ' A' ' 9' ' ' PRO . 8.2 t -80.01 131.96 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.37 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.655 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -39.87 -63.39 0.69 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.181 . . . . 0.0 110.327 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.019 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.03 -158.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -142.18 -42.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 110.069 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 13' ' ' LEU . 75.0 m -62.8 78.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.875 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.533 ' C ' ' H ' ' A' ' 14' ' ' SER . . . -74.54 9.63 10.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.004 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 111' ' ' SER . 1.2 mt -77.02 33.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 0.731 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.533 ' H ' ' C ' ' A' ' 12' ' ' GLY . 41.3 t -125.04 75.54 1.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.478 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 8.4 p-10 -49.64 90.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 115.69 33.65 1.53 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.434 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.6 OUTLIER -91.0 117.92 29.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.429 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -88.52 118.58 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.937 HG11 ' CG ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -142.21 -178.25 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -109.6 132.54 54.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 6' ' ' THR . 55.4 t -107.61 103.64 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.39 1.056 . . . . 0.0 109.365 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.72 125.0 35.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -113.35 96.41 0.81 Allowed Glycine 0 CA--C 1.528 0.847 0 O-C-N 124.477 1.111 . . . . 0.0 110.947 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.66 118.85 34.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.352 0.678 . . . . 0.0 109.41 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.44 38.77 52.04 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.4 1.063 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.894 ' CD1' HD21 ' A' ' 97' ' ' LEU . 2.3 tt -99.06 -110.63 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 0.729 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.928 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 6.0 mp0 -44.25 -23.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.604 1.19 . . . . 0.0 110.341 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 26' ' ' LEU . . . 65.58 20.1 11.58 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.466 1.104 . . . . 0.0 109.224 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 119.17 -4.87 13.65 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.409 ' CA ' ' HB3' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -87.57 -161.92 0.75 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.572 0.807 . . . . 0.0 110.409 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.511 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -149.74 145.34 26.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 0.0 109.398 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.59 ' CD1' ' HA ' ' A' ' 99' ' ' ASP . 11.3 m-85 -151.18 -170.51 3.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.563 1.164 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.549 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.3 m-20 -101.95 127.49 48.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.611 1.194 . . . . 0.0 109.396 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.639 HG12 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -91.41 150.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.257 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.614 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 165.67 157.41 9.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.725 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.33 103.6 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 0.737 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.535 ' SG ' HD11 ' A' ' 45' ' ' LEU . 4.3 t -108.22 157.53 18.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.349 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 92' ' ' ALA . . . 176.99 160.82 0.41 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.651 1.219 . . . . 0.0 109.249 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.422 ' CG ' ' O ' ' A' ' 39' ' ' TRP . 18.6 p-90 -64.24 107.71 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 108.019 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.898 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -99.79 -48.62 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.629 1.206 . . . . 0.0 109.246 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.51 ' CG ' ' N ' ' A' ' 42' ' ' THR . 1.1 t70 -93.99 169.72 10.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.226 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 44' ' ' VAL . 6.2 m -32.72 96.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 41.81 25.85 0.24 Allowed Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.412 1.07 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.934 HG11 HD23 ' A' ' 77' ' ' LEU . 3.4 t -102.52 116.01 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.4 0.706 . . . . 0.0 109.202 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.535 HD11 ' SG ' ' A' ' 37' ' ' CYS . 8.0 tp -63.39 105.09 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.17 . . . . 0.0 109.242 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.898 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -117.0 138.68 51.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.0 m -102.6 155.1 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 108.387 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.537 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -81.03 168.25 26.37 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.594 ' HG2' ' CD1' ' A' ' 73' ' ' PHE . 18.6 Cg_endo -74.99 -11.54 21.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.2 14.46 27.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.635 1.209 . . . . 0.0 109.366 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.614 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -86.83 9.73 18.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.466 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 8.9 m-85 -107.55 90.78 3.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.639 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -150.93 87.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.613 1.195 . . . . 0.0 110.044 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 53' ' ' SER . 50.5 p -35.95 152.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.885 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.559 HG11 HG23 ' A' ' 34' ' ' VAL . 7.5 p -155.23 160.51 2.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.408 1.068 . . . . 0.0 109.238 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.511 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 2.7 m -150.81 135.31 17.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.31 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.973 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -105.43 127.9 53.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.601 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -49.26 160.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.36 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.79 -30.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.348 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.432 ' N ' ' C ' ' A' ' 58' ' ' ASP . 4.5 t-20 -89.0 35.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.384 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.05 41.49 3.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.581 1.176 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 1.3 m -105.55 93.87 4.9 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.406 0.709 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.973 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.86 89.34 2.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.182 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -98.73 82.71 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.644 1.215 . . . . 0.0 109.976 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.549 HG21 ' CG2' ' A' ' 55' ' ' VAL . 3.1 t -110.11 138.82 45.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.771 ' O ' HD22 ' A' ' 67' ' ' LEU . 42.4 p -98.43 138.12 36.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.053 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.771 HD22 ' O ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -149.46 176.48 10.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.382 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 17' ' ' THR . 93.5 m -105.38 137.65 42.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.605 1.191 . . . . 0.0 110.402 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.729 HG11 HD13 ' A' ' 110' ' ' ILE . 45.0 t -92.95 87.14 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -87.46 66.45 9.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.626 1.204 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.443 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 3.5 ttm180 -40.53 -31.8 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.599 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -102.79 127.76 49.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.974 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.594 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 174.27 166.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.419 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -82.45 107.27 14.98 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.67 169.41 47.95 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.596 1.185 . . . . 0.0 110.989 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.585 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -142.3 123.17 14.38 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.395 0.703 . . . . 0.0 110.97 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.934 HD23 HG11 ' A' ' 44' ' ' VAL . 2.1 mp -58.83 149.02 27.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.473 ' CE2' HG13 ' A' ' 44' ' ' VAL . 34.4 p90 -65.45 -32.57 74.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 111.07 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.472 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 23.9 t0 -46.28 -46.29 17.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.671 1.232 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 145.25 -15.06 1.88 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.481 ' O ' HD12 ' A' ' 77' ' ' LEU . 14.3 m -90.67 153.92 19.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -90.88 140.61 29.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.477 ' CD2' ' HB2' ' A' ' 41' ' ' ASP . 46.0 t-105 -106.27 -92.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.62 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 155.23 -109.67 0.41 Allowed Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.616 1.197 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.62 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 18.7 m 90.79 -53.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.429 0.723 . . . . 0.0 110.344 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.599 ' O ' ' HA ' ' A' ' 72' ' ' SER . 60.5 t 68.08 -105.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.466 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -64.08 93.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 13.3 t -71.2 60.29 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.677 1.235 . . . . 0.0 108.294 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' ASP . 14.9 t -97.61 -19.99 17.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.09 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.5 m -87.76 -53.84 4.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.343 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.43 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.41 155.68 18.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.554 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -90.09 119.83 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.15 121.38 32.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 108.335 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.458 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 23.3 mt-30 -102.13 121.77 42.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.725 HG22 ' HG2' ' A' ' 36' ' ' GLN . 20.6 t -89.51 114.14 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -166.91 175.1 42.23 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.894 HD21 ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -107.56 136.19 47.74 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.395 0.703 . . . . 0.0 109.298 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 32' ' ' TYR . 76.7 p -93.37 150.23 20.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 110.046 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.59 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -87.15 157.86 19.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.54 16.16 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.51 -15.2 15.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.6 45.31 4.65 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.57 1.169 . . . . 0.0 111.082 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 19.6 m-20 -117.82 165.3 13.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 109.277 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -106.44 102.32 1.89 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.414 1.071 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.488 ' CG ' ' O ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.97 -175.99 2.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.49 112.52 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -102.52 153.43 18.4 Favored Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.525 1.141 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.656 ' O ' HG13 ' A' ' 108' ' ' VAL . 5.6 p -100.96 102.3 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.419 0.717 . . . . 0.0 109.338 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.51 85.91 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.492 1.12 . . . . 0.0 109.429 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.761 HD12 HG21 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -80.8 154.56 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.624 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.081 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.524 ' O ' HG23 ' A' ' 6' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.81 0 N-CA-C 110.922 -0.453 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.786 ' HB ' HD22 ' A' ' 26' ' ' LEU . 3.9 p 39.32 -150.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.456 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.913 ' HB1' ' CG1' ' A' ' 21' ' ' VAL . . . -70.79 129.54 39.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER -137.76 141.4 40.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.451 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.891 HG13 HG21 ' A' ' 19' ' ' VAL . 3.3 t -77.11 120.82 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.337 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.716 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -33.07 -67.53 0.19 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.35 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.809 ' CG ' HG11 ' A' ' 19' ' ' VAL . 18.0 Cg_endo -75.04 -158.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.02 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.521 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -139.19 -45.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.412 1.07 . . . . 0.0 109.942 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 111' ' ' SER . 84.0 p -77.15 81.45 3.66 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.485 1.115 . . . . 0.0 110.034 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -73.02 1.06 42.46 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.027 HD23 ' O ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -66.59 62.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.618 0.834 . . . . 0.0 109.401 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -144.35 117.62 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.936 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 14' ' ' SER . 4.6 m-20 -35.49 94.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 59.5 67.3 2.23 Favored Glycine 0 CA--C 1.528 0.869 0 O-C-N 124.567 1.167 . . . . 0.0 111.055 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 69' ' ' VAL . 2.2 m -70.01 109.83 4.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 0.728 . . . . 0.0 110.466 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.802 HG22 HG23 ' A' ' 68' ' ' THR . 1.6 t -84.84 112.6 22.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.587 1.179 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.891 HG21 HG13 ' A' ' 7' ' ' VAL . 30.1 m -138.94 -176.71 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.28 133.96 55.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.913 ' CG1' ' HB1' ' A' ' 5' ' ' ALA . 1.5 t -107.65 104.22 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 O-C-N 124.424 1.077 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -88.26 121.96 31.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.423 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -102.1 127.52 9.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.572 1.17 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.44 103.57 9.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 0.0 109.226 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.16 18.11 47.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.424 1.078 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.002 ' HG ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -76.56 -142.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.918 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 10.5 mm100 -54.48 87.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.599 1.187 . . . . 0.0 110.354 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -55.7 87.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 72.68 2.21 55.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.049 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.459 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.77 -176.27 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 110.418 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -139.45 122.48 16.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.637 ' CE1' ' NE2' ' A' ' 27' ' ' GLN . 2.6 m-30 -117.77 -171.08 1.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.468 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 6.0 p-10 -111.6 110.54 20.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.226 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.769 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -80.2 139.11 18.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.599 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 178.49 158.69 21.62 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.513 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.78 97.08 9.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 0.728 . . . . 0.0 110.412 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.757 ' SG ' HD11 ' A' ' 45' ' ' LEU . 4.5 t -106.81 155.47 19.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 108.394 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 173.54 161.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -60.58 119.03 7.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.096 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.973 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -99.62 -44.57 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.464 ' CB ' ' HB ' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -83.5 -152.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 42' ' ' THR . 8.2 t -77.92 54.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.97 -9.16 50.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.626 1.204 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 64.7 t -69.97 112.48 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.757 HD11 ' SG ' ' A' ' 37' ' ' CYS . 1.6 tm? -60.17 112.89 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.973 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -126.39 137.3 53.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.7 m -105.35 152.24 23.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 108.274 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.522 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -82.81 165.02 44.04 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.0 109.468 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.64 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.08 -9.43 20.66 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.499 1.789 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.49 14.83 26.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.599 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.48 8.77 23.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -105.97 93.56 4.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.943 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.55 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -146.84 84.16 1.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.934 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' SER . 84.1 p -36.28 141.94 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.11 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.635 HG11 HG23 ' A' ' 34' ' ' VAL . 9.3 p -147.91 159.74 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 124.65 1.219 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.748 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -147.4 137.1 22.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 1.042 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.45 141.14 38.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.57 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -62.33 158.96 16.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.06 -28.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.439 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.4 t-20 -88.23 35.08 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.96 38.64 2.56 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.464 1.102 . . . . 0.0 111.095 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.42 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -99.32 97.35 8.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 0.745 . . . . 0.0 110.038 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 1.042 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.67 80.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.406 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.7 p -90.54 76.73 6.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.952 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.731 HG21 HG21 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -109.57 141.51 41.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.512 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.1 p -102.39 154.03 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.666 HD13 HG11 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -158.36 166.82 31.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.648 1.218 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.802 HG23 HG22 ' A' ' 18' ' ' VAL . 25.9 m -106.3 138.44 42.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 17' ' ' THR . 19.3 t -88.46 83.19 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.398 1.061 . . . . 0.0 109.378 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 72' ' ' SER . 29.2 mtt180 -88.96 66.75 7.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.455 ' NH2' ' HB3' ' A' ' 13' ' ' LEU . 16.3 ttm180 -35.94 -32.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 77.5 p -89.2 107.42 19.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.606 ' CZ ' ' HB2' ' A' ' 88' ' ' CYS . 0.2 OUTLIER -157.33 165.23 36.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.612 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 29.9 tt0 -96.46 87.53 4.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.73 160.96 1.36 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.583 1.177 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.612 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 61.0 m-85 -140.83 115.65 9.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 83' ' ' TRP . 14.1 mt -57.64 135.64 56.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.394 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -56.62 -30.15 62.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.18 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -50.95 -22.64 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.199 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.84 -16.15 12.32 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.496 1.123 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 42.1 m -88.83 133.39 34.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 0.825 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.574 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -77.77 138.81 39.21 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.503 1.127 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.675 ' CD1' HG13 ' A' ' 40' ' ' VAL . 54.5 t-105 -105.73 -87.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 108.013 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.604 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 140.66 -104.63 0.4 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.557 1.161 . . . . 0.0 111.03 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.604 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 7.6 m 89.93 -52.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 110.437 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 72' ' ' SER . 92.9 t 69.64 -104.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.529 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -58.76 90.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.386 1.054 . . . . 0.0 109.265 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.606 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 8.8 t -71.25 60.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' ASP . 12.6 t -99.49 -19.48 16.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.346 1.029 . . . . 0.0 110.405 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.7 m -88.99 -55.35 3.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.504 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.423 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.17 154.49 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.643 1.214 . . . . 0.0 109.246 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.73 123.0 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 124.2 35.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 108.312 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.51 ' H ' ' HB2' ' A' ' 38' ' ' ALA . 25.5 mt-30 -100.26 117.44 34.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.513 HG22 ' HG2' ' A' ' 36' ' ' GLN . 20.5 t -89.14 110.21 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.617 1.198 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -160.58 171.33 36.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.002 HD11 ' HG ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -106.4 133.53 50.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.354 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.97 158.73 15.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -79.59 160.48 26.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.77 11.57 12.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.78 -59.11 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.401 1.063 . . . . 0.0 109.25 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.43 48.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.574 1.171 . . . . 0.0 111.036 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -149.51 157.53 43.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 0.793 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.43 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -140.81 62.62 0.54 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.0 Cg_endo -75.06 -16.8 19.88 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.55 ' HG2' HD21 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -89.06 140.93 28.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.584 1.177 . . . . 0.0 110.245 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.4 ' C ' ' HB3' ' A' ' 94' ' ' GLN . . . 151.87 118.36 0.78 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 108' ' ' VAL . 0.8 OUTLIER -105.39 119.63 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.37 93.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.559 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -97.89 149.22 5.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 1.027 ' O ' HD23 ' A' ' 13' ' ' LEU . 1.1 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.493 ' O ' HG23 ' A' ' 6' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.927 0 N-CA-C 111.075 -0.394 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.782 ' HB ' HD22 ' A' ' 26' ' ' LEU . 2.5 p 42.36 -152.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.396 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.418 ' H ' ' CD2' ' A' ' 26' ' ' LEU . . . -73.16 115.49 12.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.363 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -139.38 147.86 42.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.362 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.746 HG13 ' HD2' ' A' ' 9' ' ' PRO . 2.0 t -83.34 129.23 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.414 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.751 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -37.22 -69.16 0.2 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.343 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.949 ' CG ' HG11 ' A' ' 19' ' ' VAL . 18.6 Cg_endo -74.94 -161.55 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.464 1.77 . . . . 0.0 111.095 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -136.43 -49.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 111' ' ' SER . 89.0 p -64.05 76.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.615 1.197 . . . . 0.0 109.925 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' SER . . . -64.09 -8.3 28.89 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.563 HD12 ' O ' ' A' ' 111' ' ' SER . 0.7 OUTLIER -70.14 56.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 0.707 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.519 ' HB3' ' CB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -132.32 115.67 15.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' SER . 20.5 p-10 -36.13 96.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.379 1.049 . . . . 0.0 109.199 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 47.09 68.6 1.1 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.59 1.181 . . . . 0.0 110.979 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.519 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -77.26 125.11 28.81 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.351 0.677 . . . . 0.0 110.354 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.525 HG22 HG23 ' A' ' 68' ' ' THR . 1.7 t -96.25 115.49 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.949 HG11 ' CG ' ' A' ' 9' ' ' PRO . 1.7 m -137.8 -172.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -110.64 135.57 51.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 6' ' ' THR . 83.6 t -112.47 101.95 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -88.17 125.19 34.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.517 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -112.24 81.12 0.28 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.371 1.044 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.7 124.78 32.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.374 0.69 . . . . 0.0 109.296 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 82.63 18.4 66.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.572 1.17 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.782 HD22 ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -88.24 -146.84 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 0.742 . . . . 0.0 109.336 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.971 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -68.25 84.47 0.25 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.405 1.066 . . . . 0.0 110.286 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.613 ' HB1' ' O ' ' A' ' 59' ' ' ALA . . . -67.44 98.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.01 -16.4 59.46 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.42 1.075 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.565 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -92.09 -178.84 5.1 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.573 0.807 . . . . 0.0 110.437 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.946 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -157.15 156.45 32.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.677 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -152.35 -165.22 2.15 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.566 1.166 . . . . 0.0 111.034 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -104.77 112.21 25.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.557 HG21 HG21 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -78.74 136.74 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.647 1.217 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.632 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 179.3 154.94 13.81 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.648 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.26 101.0 12.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 0.727 . . . . 0.0 110.389 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 4.7 t -107.03 155.12 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 177.13 163.65 0.5 Allowed 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.59 1.181 . . . . 0.0 109.233 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.514 ' CD1' ' O ' ' A' ' 39' ' ' TRP . 28.6 p90 -63.57 109.65 1.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 108.012 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.955 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -99.87 -34.25 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.229 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.568 ' OD1' ' CD2' ' A' ' 83' ' ' TRP . 1.7 t70 -89.47 -155.15 0.34 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.748 ' O ' HG23 ' A' ' 42' ' ' THR . 6.3 t -80.7 53.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.358 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.76 4.13 42.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.39 1.057 . . . . 0.0 111.092 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.462 HG23 ' HB3' ' A' ' 41' ' ' ASP . 5.8 t -89.35 116.62 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.405 0.709 . . . . 0.0 109.437 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.6 100.02 0.25 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.499 1.124 . . . . 0.0 109.232 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.955 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -109.82 137.94 46.9 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.9 m -101.88 153.16 20.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 108.332 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.632 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -81.23 169.91 17.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.234 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.596 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.0 Cg_endo -74.92 -11.46 21.64 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.417 1.746 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.48 17.56 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.632 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -87.43 5.14 40.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.398 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.596 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -107.48 93.11 4.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.153 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.526 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -150.12 84.88 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' SER . 23.8 p -38.21 133.67 0.91 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.622 1.202 . . . . 0.0 109.937 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.744 HG13 HG21 ' A' ' 65' ' ' THR . 2.5 t -140.59 159.38 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.375 1.047 . . . . 0.0 109.284 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.946 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -145.13 148.22 33.37 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.43 1.081 . . . . 0.0 110.394 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.971 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -107.44 138.04 44.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -65.05 155.13 35.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.645 1.216 . . . . 0.0 109.333 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.613 ' O ' ' HB1' ' A' ' 28' ' ' ALA . . . -42.56 -27.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.395 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.3 t-20 -88.17 32.82 0.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.383 1.052 . . . . 0.0 109.203 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.36 43.74 3.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.591 1.182 . . . . 0.0 111.037 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 58.0 m -119.0 105.19 11.19 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.482 0.754 . . . . 0.0 109.983 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.608 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.43 85.58 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.2 m -93.72 75.09 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.042 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.744 HG21 HG13 ' A' ' 55' ' ' VAL . 68.5 p -110.45 136.71 49.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.352 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.609 ' O ' HD22 ' A' ' 67' ' ' LEU . 80.2 p -90.83 139.75 30.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.382 1.051 . . . . 0.0 110.026 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -142.67 166.97 23.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.159 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.525 HG23 HG22 ' A' ' 18' ' ' VAL . 87.3 m -106.22 132.55 52.15 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.554 1.159 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.494 ' CG2' HG22 ' A' ' 17' ' ' THR . 45.5 t -89.44 85.18 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.569 1.168 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.697 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 9.6 mtt180 -86.61 60.78 6.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 39.0 ttp180 -36.36 -32.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.642 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 96.7 p -102.17 125.37 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.194 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.697 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 178.9 177.54 0.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.341 1.025 . . . . 0.0 110.897 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.434 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -93.09 105.87 17.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.383 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.77 167.17 38.49 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.548 1.155 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.541 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -142.16 117.24 10.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 0.798 . . . . 0.0 111.004 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 41' ' ' ASP . 24.7 mt -58.72 131.0 49.58 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.5 -28.28 8.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -50.37 -53.17 31.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.5 -20.6 0.72 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.5 m -89.27 145.51 25.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.454 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 17.5 mtm-85 -83.3 140.52 32.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.235 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.568 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 77.1 t-105 -105.82 -91.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 107.91 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 155.13 -101.3 0.2 Allowed Glycine 0 CA--C 1.532 1.133 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.652 ' OG1' HG22 ' A' ' 40' ' ' VAL . 17.0 m 88.43 -52.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 0.816 . . . . 0.0 110.442 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.642 ' O ' ' HA ' ' A' ' 72' ' ' SER . 99.4 t 67.9 -107.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.624 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -62.49 102.57 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.234 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 42.3 t -82.56 53.31 2.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.544 1.153 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.9 t -96.03 -22.68 17.21 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.509 1.13 . . . . 0.0 110.384 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 m -89.28 -54.17 4.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.406 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -85.72 140.18 30.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.426 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -80.21 119.15 22.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.43 1.081 . . . . 0.0 109.191 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.89 124.55 35.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 108.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.51 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 75.8 mt-30 -98.69 113.59 25.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.648 HG22 ' HG2' ' A' ' 36' ' ' GLN . 6.4 t -87.8 106.44 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -155.08 179.8 30.83 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.455 1.097 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.832 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -106.1 143.96 33.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.767 . . . . 0.0 109.194 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' ' 32' ' ' TYR . 1.4 p -87.7 138.01 31.84 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.515 1.135 . . . . 0.0 109.957 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.98 159.67 30.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.216 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.99 6.73 27.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.603 1.189 . . . . 0.0 109.294 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.38 -32.1 15.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.392 1.057 . . . . 0.0 109.321 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 118.35 39.24 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.418 1.073 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -149.59 154.69 39.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.677 0.869 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.411 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -132.87 63.09 0.63 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.418 1.074 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.2 Cg_endo -75.09 -22.55 14.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.958 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.409 ' HB3' HD22 ' A' ' 97' ' ' LEU . 1.6 tm-20 -84.59 142.65 29.81 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.525 1.141 . . . . 0.0 110.256 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 145.62 136.42 2.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.609 1.193 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -105.5 122.15 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.368 0.687 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.67 94.28 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.492 1.12 . . . . 0.0 109.197 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.578 ' O ' ' CB ' ' A' ' 111' ' ' SER . 2.7 tp -91.01 156.39 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.578 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.486 ' C ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 N-CA-C 110.95 -0.442 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.502 ' HB ' HD22 ' A' ' 26' ' ' LEU . 1.1 p 54.61 -159.63 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 110.353 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.733 ' H ' HD23 ' A' ' 26' ' ' LEU . . . -60.67 128.94 39.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 109.368 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.2 p -150.39 146.27 26.6 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.517 1.135 . . . . 0.0 110.476 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.675 ' H ' HG11 ' A' ' 108' ' ' VAL . 3.0 t -74.5 123.08 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.728 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -32.52 -68.82 0.14 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.355 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.837 ' CG ' HG11 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.05 -159.56 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.584 1.834 . . . . 0.0 111.038 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 111' ' ' SER . 27.7 m -136.93 -49.04 0.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 110.028 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.426 ' HA ' ' HB3' ' A' ' 111' ' ' SER . 43.5 p -70.77 57.74 0.2 Allowed 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.425 1.078 . . . . 0.0 109.991 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.67 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -57.22 -13.62 10.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.373 1.046 . . . . 0.0 111.013 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.797 HD23 ' O ' ' A' ' 111' ' ' SER . 0.5 OUTLIER -54.77 74.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.805 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.67 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -151.06 123.69 8.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.142 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 14' ' ' SER . 20.1 p-10 -36.45 93.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 52.69 67.25 2.18 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.486 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.5 OUTLIER -74.53 128.99 36.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 110.497 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.69 118.38 38.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.226 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.837 HG11 ' CG ' ' A' ' 9' ' ' PRO . 1.4 m -142.7 -176.62 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -118.33 127.87 54.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.597 1.185 . . . . 0.0 109.243 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.506 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.7 t -99.0 96.85 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.216 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.13 135.23 33.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.477 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -117.53 120.23 4.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.36 96.73 7.14 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.501 0.765 . . . . 0.0 109.357 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.25 21.05 12.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.733 HD23 ' H ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -82.49 -141.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 0.722 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.988 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 18.9 mm-40 -51.65 89.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.75 84.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 78.12 4.69 86.61 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.511 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.2 -175.11 4.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.534 0.785 . . . . 0.0 110.408 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.757 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -139.07 114.36 9.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.661 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.3 m-30 -117.75 165.37 13.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 33.0 m-20 -91.3 127.59 36.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.684 1.24 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.052 HG23 ' HB3' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -100.44 137.32 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.623 1.202 . . . . 0.0 109.316 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.566 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 172.99 125.26 0.82 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.388 1.055 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.674 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -56.0 99.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.506 0.768 . . . . 0.0 110.213 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 3.4 t -106.67 157.86 17.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.598 1.186 . . . . 0.0 108.345 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.584 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . 178.97 166.2 0.92 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 109.384 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.51 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 40.2 p90 -72.38 111.66 7.77 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.876 HG22 ' OG1' ' A' ' 85' ' ' THR . 0.7 OUTLIER -98.16 -46.74 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.603 ' OD2' ' CH2' ' A' ' 83' ' ' TRP . 2.4 t0 -85.14 -160.72 0.52 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -67.05 80.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.62 1.2 . . . . 0.0 110.365 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.78 21.35 71.13 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 78' ' ' PHE . 15.0 t -97.67 111.0 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.06 96.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.524 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -107.89 139.9 41.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.384 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.403 ' HB3' ' CG ' ' A' ' 51' ' ' ASP . 57.0 m -97.43 155.41 16.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 108.413 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.529 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 1.3 m-80 -79.68 168.2 28.17 Favored Pre-proline 0 C--N 1.323 -0.564 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.652 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -74.99 -16.73 20.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.32 15.15 26.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.571 1.17 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.647 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.75 17.09 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.389 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.652 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -105.17 87.06 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.598 1.186 . . . . 0.0 110.912 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.437 ' HB3' HG12 ' A' ' 34' ' ' VAL . 1.1 t -148.02 84.36 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -57.61 146.9 28.86 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.523 1.139 . . . . 0.0 109.951 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.816 HG21 ' HB ' ' A' ' 65' ' ' THR . 7.4 p -159.39 151.91 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.757 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -121.02 149.69 42.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.493 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 1.039 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.06 145.57 31.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.266 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.577 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -69.62 159.21 33.83 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.415 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.9 -28.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.448 1.092 . . . . 0.0 109.239 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.436 ' N ' ' C ' ' A' ' 58' ' ' ASP . 21.5 t30 -88.7 34.58 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.385 1.053 . . . . 0.0 109.268 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.72 40.65 4.02 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.505 1.128 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.7 OUTLIER -101.94 96.5 7.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 0.773 . . . . 0.0 109.985 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 1.039 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -104.03 97.75 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.9 m -101.72 93.95 5.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.889 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.921 HG21 HG21 ' A' ' 34' ' ' VAL . 7.4 t -106.05 162.36 13.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.3 p -137.9 121.77 17.68 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.577 1.173 . . . . 0.0 109.955 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.82 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -151.23 176.44 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.631 1.207 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.82 ' H ' HD13 ' A' ' 67' ' ' LEU . 6.2 t -105.24 137.28 43.27 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.431 1.082 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.81 HG11 HG12 ' A' ' 110' ' ' ILE . 39.4 t -89.22 84.71 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.463 ' HG2' HG23 ' A' ' 68' ' ' THR . 14.1 mmt180 -90.14 71.47 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.421 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -43.4 -35.43 1.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 88.6 p -94.96 122.6 37.78 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.341 1.026 . . . . 0.0 109.985 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.56 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 169.88 167.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 110.942 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.523 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 7.6 tt0 -80.68 113.45 18.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.223 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.83 173.59 54.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CE1' ' OE1' ' A' ' 74' ' ' GLU . 7.4 m-85 -135.53 119.06 16.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.771 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.468 HD12 ' HB ' ' A' ' 81' ' ' THR . 59.4 mt -42.85 164.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.335 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' A' ' 79' ' ' ASP . 1.0 OUTLIER -75.61 -31.96 60.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.567 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 7.3 t0 -61.4 -56.57 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.49 -27.04 0.22 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 111.03 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.468 ' HB ' HD12 ' A' ' 77' ' ' LEU . 4.3 m -69.01 136.67 52.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 0.728 . . . . 0.0 110.459 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 27.2 ptt180 -75.57 137.14 40.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.639 ' CD1' HG13 ' A' ' 40' ' ' VAL . 76.9 t-105 -101.7 -88.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.558 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 141.12 -89.38 0.18 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.442 1.089 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.876 ' OG1' HG22 ' A' ' 40' ' ' VAL . 3.2 m 70.5 -56.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.429 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.545 ' HB ' ' O ' ' A' ' 85' ' ' THR . 24.4 t 80.86 -101.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.214 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.95 99.4 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 9.9 t -82.89 61.63 6.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.389 1.056 . . . . 0.0 108.321 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.2 m -102.04 -13.01 17.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.366 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 m -88.06 -57.66 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -90.34 130.34 36.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.586 1.179 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.87 117.61 8.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.584 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -91.04 123.21 34.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 37' ' ' CYS . 13.7 pt20 -106.07 126.6 52.39 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 110.409 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.849 ' O ' HG12 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -96.99 124.15 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.229 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -173.13 178.48 45.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.052 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.24 121.59 44.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.363 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.7 p -103.69 164.86 11.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.041 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.605 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -62.28 162.18 10.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.5 -1.06 57.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.77 -24.63 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.426 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.28 41.93 1.7 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 9.3 m-80 -150.81 165.97 31.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 0.729 . . . . 0.0 109.22 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 106' ' ' GLU . . . 106.2 91.15 2.2 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.396 1.06 . . . . 0.0 111.083 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 45.27 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.406 ' H ' ' C ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER -91.84 130.26 37.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.391 1.057 . . . . 0.0 110.332 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.435 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . 178.03 154.58 12.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.12 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.849 HG12 ' O ' ' A' ' 95' ' ' VAL . 13.9 p -106.26 119.06 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.73 93.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.81 HG12 HG11 ' A' ' 69' ' ' VAL . 10.7 tp -69.86 136.3 26.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.226 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.797 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.895 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 4' ' ' THR . 18.6 Cg_endo . . . . . 0 N--CA 1.452 -0.96 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.507 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.3 p 46.74 -174.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.864 ' H ' HD23 ' A' ' 26' ' ' LEU . . . -52.11 114.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.385 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.545 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -146.97 138.06 23.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.456 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.009 HG23 HG22 ' A' ' 21' ' ' VAL . 9.1 p -109.68 110.35 31.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.702 HG22 ' CB ' ' A' ' 11' ' ' SER . 0.5 OUTLIER 48.87 167.77 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.455 1.097 . . . . 0.0 110.47 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.508 ' HD2' ' OG1' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.01 -44.57 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.389 1.731 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 11' ' ' SER . 14.4 p -94.34 -75.16 0.52 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.117 . . . . 0.0 109.849 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.877 ' OG ' HG21 ' A' ' 69' ' ' VAL . 0.6 OUTLIER 57.59 152.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 110.006 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.477 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . 82.12 -40.4 2.68 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.445 1.091 . . . . 0.0 111.067 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 13' ' ' LEU . 10.4 mt -35.17 -36.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.454 0.738 . . . . 0.0 109.286 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -126.38 123.32 37.69 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.552 1.157 . . . . 0.0 109.993 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.84 71.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.233 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 138.34 35.86 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.435 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 5.9 m -85.53 110.68 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 110.488 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.9 t -75.47 121.42 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.672 HG11 ' CB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -146.53 -170.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -114.25 136.39 53.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 109.372 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.009 HG22 HG23 ' A' ' 7' ' ' VAL . 2.3 t -108.47 79.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.96 135.95 33.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.574 1.172 . . . . 0.0 109.303 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.507 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -134.41 97.7 0.3 Allowed Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.01 125.15 47.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.612 0.83 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.09 18.26 29.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 111.055 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.864 HD23 ' H ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -90.49 -142.23 0.16 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.403 0.708 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.709 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -73.03 82.27 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' A' ' 59' ' ' ALA . . . -65.91 117.36 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.49 -20.34 47.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.441 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.31 179.56 5.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.767 . . . . 0.0 110.338 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.516 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -145.31 153.36 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.854 ' OH ' ' HB2' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -150.03 -169.01 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.986 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -124.5 119.63 29.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.699 HG12 ' CB ' ' A' ' 53' ' ' SER . 1.0 OUTLIER -73.49 121.83 25.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' CA ' ' OD1' ' A' ' 51' ' ' ASP . . . -163.75 119.13 0.85 Allowed Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.418 1.074 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.908 ' HG2' HG22 ' A' ' 95' ' ' VAL . 2.7 mt-30 -54.18 87.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 110.189 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.647 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -94.2 145.04 24.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.575 1.172 . . . . 0.0 108.184 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 166.73 165.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.533 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 15.4 m0 -64.47 89.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.616 1.198 . . . . 0.0 107.996 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.52 ' CG1' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -85.94 -39.68 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.577 ' HB2' HD21 ' A' ' 77' ' ' LEU . 7.6 t0 -88.68 -154.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 42' ' ' THR . 3.1 m -76.6 73.29 3.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.629 1.205 . . . . 0.0 110.437 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.2 21.3 76.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.434 1.084 . . . . 0.0 111.018 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.75 ' CG1' HD22 ' A' ' 77' ' ' LEU . 3.2 t -104.9 110.57 31.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.524 0.779 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.676 ' O ' HD23 ' A' ' 45' ' ' LEU . 5.0 tt -65.75 83.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.382 1.051 . . . . 0.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.582 ' HB2' HD23 ' A' ' 77' ' ' LEU . . . -93.22 144.8 24.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.237 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 65.5 m -96.34 156.03 16.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.437 1.086 . . . . 0.0 108.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.492 ' CB ' HE21 ' A' ' 36' ' ' GLN . 7.9 m-80 -93.06 112.4 55.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.442 ' HD2' ' O ' ' A' ' 74' ' ' GLU . 18.2 Cg_endo -75.02 7.54 2.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.538 1.81 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.793 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . . . -105.24 -8.17 18.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.647 ' HB2' ' NE2' ' A' ' 36' ' ' GLN . 11.8 t0 -110.4 -12.39 14.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.382 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -45.42 111.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.699 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -152.62 93.71 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 55' ' ' VAL . 5.2 p -56.56 129.19 39.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 54' ' ' SER . 2.1 t -155.47 162.74 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.233 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 1.1 t -120.35 167.12 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.854 ' HB2' ' OH ' ' A' ' 32' ' ' TYR . . . -106.13 126.53 52.33 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.362 1.038 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.671 ' O ' ' N ' ' A' ' 61' ' ' GLY . 2.5 m-20 -53.58 161.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.64 ' O ' ' HB1' ' A' ' 28' ' ' ALA . . . -37.67 -41.36 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -88.51 37.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.201 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.671 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.76 49.14 4.1 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.457 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 75.5 m -110.99 103.41 11.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.801 . . . . 0.0 109.891 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.457 ' HB2' ' OH ' ' A' ' 32' ' ' TYR . . . -107.2 102.08 11.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.369 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.0 p -100.3 84.58 2.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.582 HG23 ' HB ' ' A' ' 21' ' ' VAL . 8.0 t -109.52 115.82 30.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.573 1.171 . . . . 0.0 110.423 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.3 p -88.42 137.33 32.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.046 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.488 HD12 ' HB2' ' A' ' 53' ' ' SER . 0.7 OUTLIER -162.56 175.64 11.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.7 t -105.61 134.88 48.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.877 HG21 ' OG ' ' A' ' 11' ' ' SER . 21.7 t -89.07 86.49 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.421 1.075 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' SER . 17.3 mtt-85 -90.61 69.89 6.74 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.517 1.136 . . . . 0.0 110.23 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 1.3 ttm180 -38.72 -29.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 53.8 m -98.35 110.78 23.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.322 1.014 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.793 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -177.58 163.36 1.92 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.592 1.182 . . . . 0.0 111.023 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.532 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 5.0 tt0 -75.31 125.7 29.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.57 171.35 33.31 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -135.98 117.41 14.73 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.533 0.784 . . . . 0.0 111.064 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.75 HD22 ' CG1' ' A' ' 44' ' ' VAL . 36.0 mt -58.05 133.59 55.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -50.34 -30.33 11.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.17 -51.38 32.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.12 -18.17 1.19 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -89.32 145.22 25.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 110.414 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -83.77 138.24 33.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.558 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 24.7 t-105 -105.46 -89.36 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.123 . . . . 0.0 107.995 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.541 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 147.65 -97.53 0.18 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.462 1.102 . . . . 0.0 110.989 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.541 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 32.7 m 80.27 -53.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 0.804 . . . . 0.0 110.433 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.535 ' O ' ' HA ' ' A' ' 72' ' ' SER . 61.9 t 70.87 -104.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.445 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -59.26 94.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 25.1 t -85.31 50.23 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 108.217 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.7 t -90.57 -17.93 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 91' ' ' ALA . 9.1 t -87.95 -50.64 6.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.355 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.455 ' N ' HG23 ' A' ' 90' ' ' THR . . . -90.58 144.5 25.71 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.424 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -79.87 114.07 18.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.374 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.93 122.5 32.36 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.625 1.203 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 23.7 mt-30 -97.89 113.26 25.03 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.908 HG22 ' HG2' ' A' ' 36' ' ' GLN . 2.0 t -90.53 120.07 38.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.62 1.2 . . . . 0.0 109.377 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.482 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -172.34 173.48 45.31 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.708 ' CB ' ' CD1' ' A' ' 32' ' ' TYR . 2.7 mp -104.86 125.73 51.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 0.723 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 32' ' ' TYR . 9.1 p -105.2 155.43 19.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -58.96 162.12 4.45 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.83 2.16 35.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.634 1.209 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.87 -10.04 38.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.61 40.89 9.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -149.48 157.06 42.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.411 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.13 107.0 3.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 0.0 111.07 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 54.64 3.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.619 ' HG2' HD11 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -90.44 115.22 27.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 110.282 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.91 138.16 2.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.568 1.167 . . . . 0.0 111.054 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.867 HG13 HD13 ' A' ' 110' ' ' ILE . 6.5 p -105.6 128.85 59.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.228 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.01 92.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.867 HD13 HG13 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -86.34 170.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.95 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.611 ' C ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 111.068 -0.397 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.611 HG23 ' C ' ' A' ' 3' ' ' PRO . 0.6 OUTLIER 58.61 172.1 0.06 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.803 ' HB1' ' CG1' ' A' ' 21' ' ' VAL . . . -50.24 121.19 5.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.664 HG22 HG23 ' A' ' 108' ' ' VAL . 1.1 p -144.44 147.89 33.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.892 HG22 HG21 ' A' ' 19' ' ' VAL . 3.3 t -75.76 106.77 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.618 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.89 -63.0 0.44 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.94 -160.19 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.608 1.846 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 11' ' ' SER . 40.6 m -90.6 -53.11 4.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.574 1.172 . . . . 0.0 109.852 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.611 ' HB2' HG11 ' A' ' 69' ' ' VAL . 4.8 p 50.95 174.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.601 1.188 . . . . 0.0 110.064 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.439 ' HA3' ' C ' ' A' ' 111' ' ' SER . . . 100.81 -53.32 0.89 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.569 HD12 ' O ' ' A' ' 111' ' ' SER . 1.6 mp -73.59 -8.95 58.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 0.793 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.51 ' CB ' ' OG1' ' A' ' 17' ' ' THR . 47.4 t -128.96 89.4 2.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.74 107.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.69 19.05 5.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.431 1.082 . . . . 0.0 111.056 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.51 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 29.1 m -90.12 118.69 29.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 0.799 . . . . 0.0 110.514 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -76.37 119.87 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.892 HG21 HG22 ' A' ' 7' ' ' VAL . 1.0 OUTLIER -127.13 174.46 10.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -113.53 114.65 26.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.803 ' CG1' ' HB1' ' A' ' 5' ' ' ALA . 19.6 t -88.28 90.66 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.91 127.04 44.73 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.506 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -131.77 106.14 0.65 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.03 108.7 19.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 83.06 37.88 12.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.156 . . . . 0.0 111.063 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.729 ' CD1' HD11 ' A' ' 97' ' ' LEU . 0.8 OUTLIER -75.37 -92.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.779 . . . . 0.0 109.371 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.592 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 17.7 mm100 -91.79 19.1 6.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.199 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 76.25 -11.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.37 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.721 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 126.32 2.04 7.09 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.612 HG22 ' H ' ' A' ' 31' ' ' ALA . 2.7 m -57.92 -155.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.529 0.782 . . . . 0.0 110.48 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.612 ' H ' HG22 ' A' ' 30' ' ' THR . . . -134.21 111.76 10.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.582 ' CD1' ' HG3' ' A' ' 27' ' ' GLN . 2.6 m-85 -123.28 168.31 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -91.13 115.84 28.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.24 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.804 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -79.4 141.73 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.411 1.069 . . . . 0.0 109.403 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.626 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 168.82 155.88 10.05 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.45 1.094 . . . . 0.0 110.954 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.739 ' HG2' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.29 98.28 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 0.801 . . . . 0.0 110.342 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 94' ' ' GLN . 7.3 t -106.74 154.75 20.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 108.236 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.541 ' HB2' ' H ' ' A' ' 94' ' ' GLN . . . -178.24 168.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.603 1.189 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.558 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 68.9 p-90 -75.44 104.63 6.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 107.921 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.675 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -93.64 -49.41 12.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.429 1.081 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.507 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -86.22 -173.9 4.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.374 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.2 m -52.41 88.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.421 1.076 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 55.65 21.75 29.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.582 HG11 HD13 ' A' ' 77' ' ' LEU . 59.4 t -97.12 117.72 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.397 0.704 . . . . 0.0 109.3 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.99 99.37 1.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.546 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -111.68 138.39 48.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.533 1.146 . . . . 0.0 109.374 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.7 m -105.38 152.22 23.23 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.609 1.193 . . . . 0.0 108.322 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.554 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -77.95 170.87 14.26 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.643 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.06 -11.73 21.38 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.552 1.817 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.36 16.66 23.71 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.626 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.7 t70 -89.18 6.84 38.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.453 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.643 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -107.71 93.67 4.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.999 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.674 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -150.5 78.69 1.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.065 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 97.5 p -44.58 139.33 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.88 HG21 ' HB ' ' A' ' 65' ' ' THR . 2.7 p -160.18 164.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.422 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.588 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -135.56 154.51 51.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.375 1.047 . . . . 0.0 110.381 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.786 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -100.16 144.93 28.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.613 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -58.11 160.92 4.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.333 1.02 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.49 -36.84 0.41 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -87.81 37.12 0.78 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.613 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.7 40.92 4.12 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.428 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 7.7 m -103.96 96.4 6.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.786 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -100.0 95.7 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -106.87 76.63 1.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.377 1.048 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.88 ' HB ' HG21 ' A' ' 55' ' ' VAL . 7.0 t -107.86 132.42 53.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.599 ' O ' HD22 ' A' ' 67' ' ' LEU . 83.7 p -93.71 133.69 36.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.599 HD22 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -143.09 164.27 30.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 t -89.41 125.49 35.17 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.456 1.097 . . . . 0.0 110.444 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.92 HG13 HD11 ' A' ' 110' ' ' ILE . 2.7 t -88.93 92.04 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.702 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 2.0 mtt180 -107.42 80.56 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.456 ' NH1' ' OD2' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -41.94 -40.94 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.334 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -81.48 142.92 32.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 0.0 110.036 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.702 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER 163.33 -179.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -94.3 103.72 15.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.57 153.0 52.78 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.488 1.117 . . . . 0.0 111.126 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -139.03 124.13 18.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 0.768 . . . . 0.0 110.963 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.749 HD21 ' HB2' ' A' ' 83' ' ' TRP . 7.9 mt -62.76 153.86 31.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -82.66 -25.67 32.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -59.89 -48.47 81.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.394 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.08 -27.54 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 1.1 m -80.18 164.56 23.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.638 0.846 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -116.94 147.88 41.87 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.351 1.032 . . . . 0.0 110.369 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.749 ' HB2' HD21 ' A' ' 77' ' ' LEU . 49.2 t-105 -104.55 -86.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.086 . . . . 0.0 108.105 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.496 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 127.38 -79.27 0.37 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.604 1.19 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.992 ' O ' HG22 ' A' ' 86' ' ' VAL . 3.3 m 68.54 -57.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.388 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.992 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 83.84 -23.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.746 ' H ' HG22 ' A' ' 85' ' ' THR . 0.4 OUTLIER -143.63 104.62 4.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.178 . . . . 0.0 109.315 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 4.1 t -90.64 64.99 5.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 108.392 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.446 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -105.39 -12.68 15.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.413 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.0 m -88.83 -60.02 2.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.434 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.558 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -91.03 104.33 16.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -39.72 126.14 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.621 1.2 . . . . 0.0 109.334 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -89.73 126.94 35.85 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.575 1.172 . . . . 0.0 108.359 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.541 ' H ' ' HB2' ' A' ' 38' ' ' ALA . 23.9 mt-30 -92.38 110.62 22.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.363 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.739 HG13 ' HG2' ' A' ' 36' ' ' GLN . 2.5 t -88.61 108.1 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.475 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -167.82 178.25 41.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.427 1.079 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.928 ' O ' HD12 ' A' ' 97' ' ' LEU . 1.6 pp -107.31 128.14 54.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 0.707 . . . . 0.0 109.17 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.566 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 26.0 t -93.22 168.87 10.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 0.0 109.933 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -85.26 158.13 20.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.404 1.065 . . . . 0.0 109.4 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.77 9.23 25.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.3 -49.69 3.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 123.04 50.23 0.22 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 105' ' ' PRO . 74.4 m-20 -111.08 146.62 36.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.584 0.814 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -31.89 93.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.489 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.3 Cg_endo -74.98 127.42 10.68 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 124.61 1.847 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.69 144.64 25.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.381 1.051 . . . . 0.0 110.247 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -143.77 169.88 25.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.618 1.199 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.664 HG23 HG22 ' A' ' 6' ' ' THR . 5.3 p -99.22 143.95 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.595 0.82 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.03 99.33 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.92 HD11 HG13 ' A' ' 69' ' ' VAL . 1.7 tt -66.68 136.09 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.569 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.386 1.054 . . . . 0.0 110.096 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.47 ' C ' HG23 ' A' ' 4' ' ' THR . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.47 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.3 p 55.35 -178.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.809 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -59.04 119.6 7.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.379 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.569 HG22 HG23 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -140.47 147.59 39.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.628 1.205 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.786 ' H ' HG21 ' A' ' 108' ' ' VAL . 5.1 t -74.77 108.21 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.581 1.176 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.621 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -38.93 -62.73 0.7 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.449 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.621 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.98 -156.65 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.602 1.843 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.4 m -92.4 -46.33 7.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 0.0 109.988 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.574 ' HB3' HG11 ' A' ' 7' ' ' VAL . 6.6 p 57.09 -179.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.011 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.63 -48.7 2.96 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -18.68 63.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 109.386 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -124.26 98.83 5.94 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.552 1.157 . . . . 0.0 110.115 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -61.3 79.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.51 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 127.24 36.58 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.445 ' CG2' ' CG1' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -92.29 131.72 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 0.729 . . . . 0.0 110.448 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -82.8 117.97 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.552 HG21 HG13 ' A' ' 7' ' ' VAL . 1.2 m -132.79 174.4 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 0.0 109.244 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -116.75 125.55 51.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.586 1.179 . . . . 0.0 109.175 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.809 HG12 ' HB1' ' A' ' 5' ' ' ALA . 59.5 t -97.3 84.9 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.444 1.09 . . . . 0.0 109.157 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.31 127.01 41.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.457 ' HA3' ' N ' ' A' ' 5' ' ' ALA . . . -135.05 121.7 2.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.447 1.092 . . . . 0.0 111.069 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 61' ' ' GLY . . . -106.08 121.2 43.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.266 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 101.93 0.82 51.92 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.394 1.059 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.708 HD22 ' H ' ' A' ' 5' ' ' ALA . 6.2 tp -76.2 -136.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.385 0.697 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.942 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 38.5 mm-40 -55.18 86.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.098 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.25 93.29 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' ALA . . . 67.8 7.02 47.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.435 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.9 -176.54 4.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 0.725 . . . . 0.0 110.434 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.715 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -139.25 119.47 13.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.662 1.226 . . . . 0.0 109.15 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.666 ' HB2' HD12 ' A' ' 97' ' ' LEU . 2.3 m-30 -118.55 175.99 5.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.554 1.159 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 75.7 m-20 -98.31 113.1 24.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.929 HG21 HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -82.02 137.56 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.568 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 172.63 156.38 12.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.427 1.079 . . . . 0.0 110.969 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.746 ' HG2' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.8 102.14 14.27 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.491 0.759 . . . . 0.0 110.395 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.491 ' SG ' HD23 ' A' ' 45' ' ' LEU . 3.5 t -106.69 148.89 27.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 108.286 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -178.93 167.84 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.473 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 15.1 p-90 -68.87 111.29 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 108.028 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.987 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -95.61 -45.75 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.598 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 1.4 t0 -92.29 -155.36 0.42 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.716 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.6 t -77.55 98.86 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.0 21.51 31.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 42' ' ' THR . 45.3 t -105.97 115.62 48.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.541 0.789 . . . . 0.0 109.432 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.491 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -69.95 104.12 2.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.987 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -112.52 135.69 52.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 59.0 m -96.73 155.58 16.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.648 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 2.3 m120 -80.31 160.43 67.89 Favored Pre-proline 0 C--N 1.323 -0.587 0 O-C-N 124.499 1.124 . . . . 0.0 109.377 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.611 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.93 -13.36 21.59 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.55 1.816 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.42 14.02 26.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.568 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -88.19 13.21 11.86 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 109.367 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.611 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 4.1 m-85 -105.51 88.74 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.72 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -148.95 83.67 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.393 1.058 . . . . 0.0 110.041 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.7 p -50.9 136.56 22.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.695 HG11 ' CB ' ' A' ' 65' ' ' THR . 25.4 m -142.13 168.55 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.394 1.059 . . . . 0.0 109.236 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.715 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -139.76 141.25 36.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 1.061 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -105.94 131.03 53.74 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -48.25 158.76 0.24 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.592 1.182 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.98 -29.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 58' ' ' ASP . 50.7 t30 -88.64 34.37 0.76 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.553 1.158 . . . . 0.0 109.227 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.96 42.5 6.52 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.56 1.162 . . . . 0.0 110.955 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -104.34 96.8 6.87 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 0.781 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 1.061 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.27 99.71 9.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 p -106.75 81.15 1.53 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.573 1.17 . . . . 0.0 110.101 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.929 HG21 HG21 ' A' ' 34' ' ' VAL . 3.9 t -107.49 121.04 43.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.464 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.514 ' O ' HD22 ' A' ' 67' ' ' LEU . 53.8 p -94.65 134.58 37.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.514 HD22 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -149.36 179.19 8.13 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.4 t -103.82 128.87 51.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.779 ' CG1' HD11 ' A' ' 110' ' ' ILE . 66.0 t -88.54 89.95 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.384 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.645 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 3.1 mtt85 -94.42 73.77 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 21.3 ttp180 -34.22 -37.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 1.4 p -90.27 124.13 34.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.191 . . . . 0.0 109.968 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.648 ' CE2' ' OD1' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -171.47 168.28 6.5 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.486 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 23.3 tt0 -93.15 94.74 8.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.172 . . . . 0.0 110.245 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.558 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -61.58 158.26 32.42 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 3.5 m-85 -133.73 121.98 22.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.391 0.7 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.792 HD21 ' HB2' ' A' ' 83' ' ' TRP . 12.9 mt -51.74 146.65 7.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -67.45 -30.41 70.13 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.487 1.117 . . . . 0.0 110.932 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -55.9 -55.79 28.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.54 -26.82 0.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.417 1.073 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.7 m -76.75 144.44 39.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.417 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.508 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 8.1 ptt180 -92.6 140.87 29.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.331 1.019 . . . . 0.0 110.301 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.792 ' HB2' HD21 ' A' ' 77' ' ' LEU . 43.5 t-105 -104.51 -90.53 0.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.517 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 145.89 -77.92 0.25 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.811 ' OG1' HG22 ' A' ' 40' ' ' VAL . 3.9 m 68.89 -55.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 0.703 . . . . 0.0 110.379 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 87' ' ' ASP . 90.1 t 73.03 -104.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.241 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.542 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.8 OUTLIER -56.78 92.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.335 1.022 . . . . 0.0 109.23 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.599 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 12.2 t -77.64 58.52 1.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 108.361 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.5 t -104.72 -19.82 13.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.357 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 91' ' ' ALA . 9.5 t -89.33 -55.21 3.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.53 ' N ' HG23 ' A' ' 90' ' ' THR . . . -91.27 119.14 31.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.47 120.44 9.95 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.702 ' O ' HG22 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -91.1 128.64 37.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 108.275 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.531 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 34.7 mt-30 -97.37 110.21 22.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.321 1.013 . . . . 0.0 110.297 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.811 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.1 t -88.92 106.17 16.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 O-C-N 124.58 1.175 . . . . 0.0 109.253 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -162.35 174.16 38.72 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.574 1.171 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.837 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -105.92 116.71 32.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.507 0.769 . . . . 0.0 109.223 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.6 p -80.48 166.16 21.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 110.018 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -80.05 159.71 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.07 5.25 20.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.13 -86.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.242 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -177.77 40.81 0.09 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.478 1.111 . . . . 0.0 110.938 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.58 143.39 25.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.352 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -139.26 74.15 0.39 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.634 1.209 . . . . 0.0 110.818 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -26.96 10.41 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.771 . . . . 0.0 111.04 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -84.6 142.82 29.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.177 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.51 112.08 0.26 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 95' ' ' VAL . 4.3 p -70.5 155.56 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.207 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -87.2 104.67 16.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.779 HD11 ' CG1' ' A' ' 69' ' ' VAL . 3.7 tt -65.8 119.97 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.439 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.957 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.463 ' C ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.463 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.9 p 57.94 -149.24 0.46 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 110.488 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.839 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -80.6 114.93 19.84 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.42 1.075 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.1 p -140.08 150.24 44.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.628 1.205 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.886 ' HB ' HD13 ' A' ' 110' ' ' ILE . 2.4 t -83.87 132.7 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.401 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.849 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -30.48 -73.41 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.849 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.8 Cg_endo -74.81 -158.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.504 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -146.61 -68.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 110.133 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.0 t -105.2 160.73 14.86 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.501 1.126 . . . . 0.0 110.043 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.77 19.08 57.13 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.63 HD22 HG21 ' A' ' 17' ' ' THR . 3.1 mt -88.75 145.55 25.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 0.725 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -134.76 164.69 26.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.481 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 13.8 p-10 -59.67 88.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.77 23.7 0.95 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.581 1.176 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.63 HG21 HD22 ' A' ' 13' ' ' LEU . 36.2 m -87.54 104.37 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.276 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 t -78.97 124.89 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.446 1.091 . . . . 0.0 109.366 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.764 HG21 HG13 ' A' ' 7' ' ' VAL . 23.5 m -151.82 169.88 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -102.63 135.46 44.22 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 6' ' ' THR . 30.3 t -109.33 103.99 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.61 126.72 35.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.42 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -114.58 82.8 0.32 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.424 1.077 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.85 132.88 34.35 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 66.18 14.57 61.83 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.572 1.17 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.026 HD11 HD21 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -83.07 -142.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.988 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 8.2 mm100 -47.32 90.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.62 89.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.225 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 70.21 8.15 61.43 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.624 1.202 . . . . 0.0 111.0 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.584 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.12 177.31 6.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 0.0 110.416 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.832 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -141.83 114.15 8.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.21 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.607 ' CZ ' ' NE2' ' A' ' 27' ' ' GLN . 7.2 m-30 -116.35 -169.58 1.64 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 111.037 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -107.5 111.05 23.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.64 HG23 HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -77.81 139.31 18.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.566 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 170.67 159.57 16.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.403 1.064 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.566 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -94.9 102.35 14.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 110.265 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.557 ' SG ' HD21 ' A' ' 45' ' ' LEU . 1.4 t -106.05 148.63 27.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -179.99 167.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.443 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 41.4 p-90 -76.9 116.33 17.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 108.055 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.684 HG21 ' OG1' ' A' ' 85' ' ' THR . 0.3 OUTLIER -105.51 -43.92 7.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.605 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -83.25 -162.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.37 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 42' ' ' THR . 2.5 m -65.14 80.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.98 22.62 66.89 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.501 1.126 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 39' ' ' TRP . 36.7 t -100.07 114.67 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.779 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.557 HD21 ' SG ' ' A' ' 37' ' ' CYS . 9.3 tt -66.72 101.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -112.63 139.61 48.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 55.7 m -98.59 157.05 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 108.384 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.453 ' O ' ' HB3' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -83.07 165.51 40.71 Favored Pre-proline 0 C--N 1.323 -0.573 0 O-C-N 124.429 1.08 . . . . 0.0 109.204 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.67 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 17.9 Cg_endo -75.01 -20.71 16.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.39 13.36 35.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.415 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.566 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -89.15 6.59 39.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.368 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.67 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.1 m-85 -106.61 84.91 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' SER . 1.3 t -144.48 87.55 1.88 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' SER . 60.3 p -35.23 148.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.931 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.64 HG11 HG23 ' A' ' 34' ' ' VAL . 7.3 p -152.93 156.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.388 1.055 . . . . 0.0 109.239 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.832 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -146.68 134.89 21.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 0.0 110.362 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.988 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -99.93 133.62 44.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -51.85 159.62 0.81 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.9 -28.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 109.248 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.425 ' N ' ' C ' ' A' ' 58' ' ' ASP . 49.0 t30 -88.58 32.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.85 46.23 7.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.427 ' N ' ' HB1' ' A' ' 57' ' ' ALA . 1.6 m -114.54 98.18 6.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 0.766 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.976 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -107.27 84.23 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.3 p -93.54 81.4 4.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.511 ' HB ' HG23 ' A' ' 55' ' ' VAL . 1.8 t -108.78 135.69 49.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.414 1.072 . . . . 0.0 110.454 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 54.1 p -98.16 137.5 36.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.592 1.183 . . . . 0.0 110.046 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.859 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -155.53 168.11 28.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.211 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.859 ' H ' HD13 ' A' ' 67' ' ' LEU . 89.7 m -99.76 140.5 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.36 1.038 . . . . 0.0 110.42 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.945 HG13 ' NH2' ' A' ' 71' ' ' ARG . 57.3 t -89.12 85.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 10.7 mmt180 -88.66 78.93 7.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.162 . . . . 0.0 110.351 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.945 ' NH2' HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -61.57 -23.49 66.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 38.0 t -103.41 125.99 50.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.962 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' HB3' ' CG ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 165.85 -176.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 8.6 tt0 -87.04 115.29 24.32 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.443 1.09 . . . . 0.0 110.355 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.68 166.5 30.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.586 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 2.6 m-85 -132.63 121.59 23.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 0.752 . . . . 0.0 111.049 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.682 HD23 HG23 ' A' ' 81' ' ' THR . 0.3 OUTLIER -43.99 166.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.601 1.188 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.503 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -71.46 -23.5 61.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.947 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.13 -58.79 4.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.412 1.07 . . . . 0.0 109.276 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.28 -25.87 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.682 HG23 HD23 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -69.32 144.21 53.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.472 0.748 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.586 ' HG2' ' CD2' ' A' ' 76' ' ' PHE . 18.0 mtt180 -78.19 129.47 35.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.334 1.021 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.605 ' CE3' ' OD2' ' A' ' 41' ' ' ASP . 60.8 t-105 -92.87 -87.76 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 170.03 -52.81 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.616 1.197 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.684 ' OG1' HG21 ' A' ' 40' ' ' VAL . 17.4 m 66.38 -60.95 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 0.728 . . . . 0.0 110.376 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 72' ' ' SER . 76.2 t 66.21 -86.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -118.56 100.75 7.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 29.4 t -85.0 48.94 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.644 1.215 . . . . 0.0 108.267 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 t -90.42 -23.54 21.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.611 1.194 . . . . 0.0 110.389 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 m -88.11 -39.23 14.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.419 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -91.07 126.92 36.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.075 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.993 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -69.34 103.5 2.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.397 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.459 ' HB2' ' NH1' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -79.55 122.88 27.04 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.522 1.139 . . . . 0.0 108.138 -179.844 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.566 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 21.3 mt-30 -89.92 114.52 26.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.55 HG22 HH22 ' A' ' 71' ' ' ARG . 4.6 t -86.78 108.08 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.151 . . . . 0.0 109.221 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -164.42 178.81 39.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.504 1.127 . . . . 0.0 111.032 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.026 HD21 HD11 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -106.04 144.46 32.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 0.794 . . . . 0.0 109.219 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.1 p -105.5 144.33 32.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.071 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -66.19 161.27 22.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.26 14.79 10.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.16 -37.85 8.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.641 1.213 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.03 50.68 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.414 1.071 . . . . 0.0 111.045 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 81.6 m-20 -148.65 154.0 39.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 0.798 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -139.02 69.36 0.48 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.566 1.166 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -37.31 2.06 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.48 1.779 . . . . 0.0 111.063 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.67 141.6 34.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.177 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 149.51 119.57 0.99 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.9 p -104.5 123.29 58.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 0.766 . . . . 0.0 109.395 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.993 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -66.44 87.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.886 HD13 ' HB ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -100.95 159.6 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.532 1.145 . . . . 0.0 109.157 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.0 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.046 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.899 ' HD2' HG21 ' A' ' 6' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 111.064 -0.398 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.48 ' HG1' ' C ' ' A' ' 3' ' ' PRO . 30.0 p 46.53 -120.59 1.04 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.13 . . . . 0.0 110.364 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.505 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -87.04 118.6 26.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.899 HG21 ' HD2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -131.7 144.84 51.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.366 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.014 HG13 ' HB ' ' A' ' 19' ' ' VAL . 3.9 t -95.21 123.33 47.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.362 1.039 . . . . 0.0 109.253 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.749 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -59.87 -69.66 0.52 Allowed Pre-proline 0 N--CA 1.451 -0.39 0 O-C-N 124.517 1.136 . . . . 0.0 110.488 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.921 ' HG2' HG12 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -74.98 56.65 4.31 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.455 1.766 . . . . 0.0 111.032 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.445 ' C ' HD23 ' A' ' 13' ' ' LEU . 3.2 t -89.31 4.19 49.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' GLY . 5.0 t -100.56 135.74 41.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.915 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 33.38 50.02 0.51 Allowed Glycine 0 CA--C 1.527 0.843 0 O-C-N 124.648 1.218 . . . . 0.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.664 HD21 ' N ' ' A' ' 111' ' ' SER . 1.3 pp -75.21 -178.24 3.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.357 0.681 . . . . 0.0 109.2 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -134.77 150.6 50.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.38 86.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.475 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 120.17 31.86 1.24 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.117 . . . . 0.0 110.923 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.642 HG22 HG13 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -95.04 132.82 39.5 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.522 0.778 . . . . 0.0 110.417 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.82 108.31 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.586 1.179 . . . . 0.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.014 ' HB ' HG13 ' A' ' 7' ' ' VAL . 33.6 m -114.13 157.0 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.181 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -103.59 114.19 28.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.505 HG12 ' HB1' ' A' ' 5' ' ' ALA . 13.1 t -92.41 98.31 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.48 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.05 112.38 23.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.405 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -90.92 94.71 2.0 Allowed Glycine 0 CA--C 1.532 1.133 0 O-C-N 124.406 1.066 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.43 90.5 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 0.812 . . . . 0.0 109.232 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.529 ' O ' ' O ' ' A' ' 26' ' ' LEU . . . 96.71 38.32 4.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.143 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.065 ' CD1' HD21 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -56.98 -141.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.431 0.724 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.56 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 5.5 tp60 -84.91 41.05 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 75.47 -9.69 1.37 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.399 1.062 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.698 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 127.13 2.49 6.5 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.507 1.13 . . . . 0.0 111.102 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.604 HG22 ' H ' ' A' ' 31' ' ' ALA . 3.0 m -58.51 -152.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 110.371 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.604 ' H ' HG22 ' A' ' 30' ' ' THR . . . -133.37 131.85 40.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CD2' ' C ' ' A' ' 98' ' ' SER . 3.1 m-85 -129.21 -166.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 4.3 t70 -128.39 119.9 25.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.935 HG12 ' OD1' ' A' ' 51' ' ' ASP . 97.8 t -77.37 122.46 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.403 ' N ' ' OD1' ' A' ' 51' ' ' ASP . . . -162.51 115.71 0.67 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.481 1.113 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.585 HE21 ' CB ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -73.57 100.78 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.242 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.553 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -99.22 152.0 20.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 108.279 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.644 ' HB2' ' H ' ' A' ' 94' ' ' GLN . . . 172.59 163.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.439 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 38.6 p-90 -62.74 82.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.712 ' CG1' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -75.61 -40.38 40.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.088 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.609 ' CG ' ' CE3' ' A' ' 83' ' ' TRP . 6.8 t0 -90.64 -152.72 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.264 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.661 HG22 ' O ' ' A' ' 42' ' ' THR . 1.3 m -77.7 70.0 4.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.596 1.185 . . . . 0.0 110.455 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.23 22.03 61.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.496 HG11 ' HB3' ' A' ' 77' ' ' LEU . 22.4 t -105.4 109.36 27.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -63.59 80.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.712 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -92.68 146.14 23.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 25.1 m -98.63 154.17 18.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.599 1.187 . . . . 0.0 108.28 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.585 ' CB ' HE21 ' A' ' 36' ' ' GLN . 2.7 m-80 -99.21 124.5 44.83 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.56 ' CD ' ' O ' ' A' ' 74' ' ' GLU . 18.3 Cg_endo -74.97 6.73 3.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.462 1.769 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 1.051 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . . . -99.71 -1.56 37.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.935 ' OD1' HG12 ' A' ' 34' ' ' VAL . 8.5 t70 -114.69 -16.85 11.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.248 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 49' ' ' PRO . 3.3 m-85 -52.45 101.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 111.051 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.69 102.63 2.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 30.4 p -49.57 148.4 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.411 ' CG1' HG23 ' A' ' 34' ' ' VAL . 5.6 p -155.6 166.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 30' ' ' THR . 0.9 OUTLIER -144.27 155.3 43.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.432 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.802 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -105.48 146.51 29.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.407 1.067 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -61.74 161.12 10.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.205 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -39.02 -36.38 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -88.46 36.72 0.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.14 42.67 5.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 2.6 m -106.21 96.42 6.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.865 ' HB3' HD13 ' A' ' 26' ' ' LEU . . . -102.3 74.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 p -92.07 75.07 5.5 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.404 ' CB ' HG21 ' A' ' 55' ' ' VAL . 83.9 m -109.85 143.46 39.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.482 ' O ' HD22 ' A' ' 67' ' ' LEU . 20.4 p -109.86 134.39 52.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.076 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -141.72 -179.42 6.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.2 t -105.48 122.62 46.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.684 ' O ' HG13 ' A' ' 69' ' ' VAL . 8.2 p -88.26 92.66 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 109.229 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.475 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 13.4 mmt180 -88.57 71.0 8.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.409 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 7.4 ttp180 -41.23 -32.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 56.8 m -93.94 123.72 37.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.096 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 1.051 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 0.6 OUTLIER 174.49 179.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' ' 49' ' ' PRO . 2.5 tp10 -85.55 111.45 20.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.25 153.09 33.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.15 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -128.6 126.49 40.36 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 0.796 . . . . 0.0 111.013 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.963 HD21 ' HB2' ' A' ' 83' ' ' TRP . 3.9 mt -64.69 140.77 58.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.202 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 78' ' ' PHE . 3.9 p90 -70.17 -27.3 64.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.161 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -54.53 -50.97 66.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.33 -27.2 0.25 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.387 1.055 . . . . 0.0 111.032 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.3 m -85.46 164.35 17.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.407 0.71 . . . . 0.0 110.369 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 35.5 ptt180 -114.31 145.59 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.963 ' HB2' HD21 ' A' ' 77' ' ' LEU . 59.8 t-105 -104.79 -90.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 108.04 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 143.59 -68.21 0.43 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.741 ' C ' HG23 ' A' ' 86' ' ' VAL . 1.6 m 67.72 -59.63 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.749 . . . . 0.0 110.353 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.741 HG23 ' C ' ' A' ' 85' ' ' THR . 2.6 t 84.7 -46.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -130.3 106.14 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 48.5 t -90.81 42.37 1.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.567 1.167 . . . . 0.0 108.32 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 66.6 m -87.4 -17.62 31.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.5 m -87.97 -52.07 5.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.065 . . . . 0.0 110.477 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.416 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -89.15 129.57 35.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.396 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.417 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -61.88 114.86 3.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.586 1.179 . . . . 0.0 109.228 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.506 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -89.57 126.73 35.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.283 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.644 ' H ' ' HB2' ' A' ' 38' ' ' ALA . 39.0 mt-30 -96.84 110.79 23.21 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.535 HG23 ' HB ' ' A' ' 110' ' ' ILE . 39.8 t -89.36 121.69 39.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.69 169.76 40.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.065 HD21 ' CD1' ' A' ' 26' ' ' LEU . 2.0 pp -106.65 125.32 50.85 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 0.792 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.537 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 87.7 p -100.02 166.35 11.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -79.11 160.73 26.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.643 1.214 . . . . 0.0 109.222 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.49 13.31 12.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.7 -61.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 154.08 49.85 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.566 1.166 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -139.68 148.73 42.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -118.64 110.34 1.91 Allowed Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.503 1.127 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.358 1.031 0 O-C-N 124.619 1.852 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.12 139.91 35.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.445 1.09 . . . . 0.0 110.331 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -115.59 167.74 12.47 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.461 1.1 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.695 HG13 HD12 ' A' ' 110' ' ' ILE . 1.8 p -104.16 121.98 56.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 109.276 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.7 93.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.646 1.216 . . . . 0.0 109.419 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.762 HD11 ' CB ' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -81.33 137.73 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.372 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.664 ' N ' HD21 ' A' ' 13' ' ' LEU . 3.2 p . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.483 1.115 . . . . 0.0 110.069 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.838 0 N-CA-C 110.91 -0.458 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 2.9 p 47.0 -142.54 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.639 1.212 . . . . 0.0 110.434 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.647 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . . . -84.34 124.51 31.35 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.611 1.194 . . . . 0.0 109.316 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -144.54 145.19 31.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.958 HG13 ' HB ' ' A' ' 19' ' ' VAL . 2.3 t -88.37 120.33 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.769 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -54.22 -70.42 0.29 Allowed Pre-proline 0 N--CA 1.451 -0.376 0 O-C-N 124.414 1.072 . . . . 0.0 110.463 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.904 ' HG2' HG12 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.05 56.12 4.18 Favored 'Trans proline' 0 C--N 1.362 1.251 0 O-C-N 124.402 1.738 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 111' ' ' SER . 83.5 p -89.17 23.11 2.56 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.389 1.056 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -112.29 128.34 56.24 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.643 1.214 . . . . 0.0 110.099 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' SER . . . 36.45 50.59 1.34 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.031 HD13 HG23 ' A' ' 110' ' ' ILE . 4.7 mp -53.53 -175.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 0.717 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.7 t -143.0 152.38 41.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.95 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -52.84 87.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.628 ' HA2' HG22 ' A' ' 68' ' ' THR . . . 101.41 46.63 1.65 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.482 HG22 HG13 ' A' ' 19' ' ' VAL . 1.1 m -92.12 127.06 37.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.453 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.431 ' H ' HG23 ' A' ' 18' ' ' VAL . 1.5 t -74.33 111.63 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.958 ' HB ' HG13 ' A' ' 7' ' ' VAL . 31.5 m -120.07 162.15 18.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -113.82 115.17 27.34 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.419 1.074 . . . . 0.0 109.209 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.59 HG12 ' HB1' ' A' ' 5' ' ' ALA . 5.4 t -90.77 93.87 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.376 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -88.17 121.03 30.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -104.5 122.04 7.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.578 1.174 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.45 100.94 7.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.63 24.97 26.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.791 ' CD1' HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -90.27 -146.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.983 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 17.5 mm-40 -45.23 91.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -61.68 85.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.597 1.186 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 77.9 6.21 87.12 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.582 1.177 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.548 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.74 -176.95 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.667 0.863 . . . . 0.0 110.44 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.86 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -142.68 122.67 13.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CE1' ' OE1' ' A' ' 27' ' ' GLN . 3.8 m-30 -118.13 -178.14 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.049 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.512 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 23.9 t0 -98.14 112.9 24.7 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.913 HG23 HD12 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -85.66 141.81 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.615 1.197 . . . . 0.0 109.287 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.554 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 162.86 156.16 8.41 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.471 1.107 . . . . 0.0 111.053 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.891 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -92.5 100.46 13.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 0.0 110.352 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 1.8 t -105.58 153.47 21.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.594 1.184 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 176.62 166.17 0.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.369 1.043 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.743 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 34.0 p-90 -76.66 108.84 9.95 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.682 HG21 HG23 ' A' ' 85' ' ' THR . 0.4 OUTLIER -97.99 -45.28 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.611 ' OD2' ' CZ2' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -86.41 -162.78 0.8 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.7 m -61.32 79.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.396 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 61.91 24.76 65.1 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.61 1.194 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.85 HG11 HD22 ' A' ' 77' ' ' LEU . 84.6 t -97.56 108.15 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.424 0.72 . . . . 0.0 109.246 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -65.5 90.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.533 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -103.75 146.64 28.32 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.56 1.163 . . . . 0.0 109.224 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.4 m -105.73 153.58 21.66 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.456 1.097 . . . . 0.0 108.416 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.587 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -76.61 167.91 32.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.608 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -74.98 -16.71 20.1 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.542 1.811 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.481 ' CB ' ' HD2' ' A' ' 70' ' ' ARG . . . -105.01 12.64 32.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.595 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -90.46 10.92 23.3 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.627 1.205 . . . . 0.0 109.262 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -107.65 84.18 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.94 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.641 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -150.16 86.9 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.8 p -56.38 134.23 53.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.048 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.683 HG11 ' OG1' ' A' ' 65' ' ' THR . 35.8 m -129.26 168.54 22.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.86 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -139.3 138.02 36.34 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.456 1.098 . . . . 0.0 110.439 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.999 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -101.34 133.55 45.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.583 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -53.88 158.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.18 -29.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.244 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.438 ' N ' ' C ' ' A' ' 58' ' ' ASP . 14.9 t-20 -88.82 34.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.91 40.91 5.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -99.2 93.47 5.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.413 0.714 . . . . 0.0 110.027 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.999 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -100.01 84.66 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 p -97.28 79.31 2.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.872 HG21 HG21 ' A' ' 34' ' ' VAL . 6.3 t -109.05 131.42 55.09 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.4 p -109.47 136.59 48.64 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.394 1.059 . . . . 0.0 110.04 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.466 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -150.38 175.15 12.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.228 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.628 HG22 ' HA2' ' A' ' 16' ' ' GLY . 5.3 m -102.48 135.95 43.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.443 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.554 HG11 HG21 ' A' ' 110' ' ' ILE . 43.0 t -89.29 87.9 2.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.664 1.227 . . . . 0.0 109.385 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.583 ' HG3' HG22 ' A' ' 68' ' ' THR . 13.5 mtt-85 -93.79 101.83 13.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 71' ' ' ARG . 4.2 ttm-85 -78.49 -26.83 46.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.613 1.196 . . . . 0.0 110.277 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -99.44 113.78 26.33 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.454 1.096 . . . . 0.0 109.993 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 172.1 -175.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' ' 49' ' ' PRO . 1.2 tt0 -91.15 123.48 34.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 110.227 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.407 ' HA3' ' OG1' ' A' ' 85' ' ' THR . . . -103.94 164.37 15.19 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.501 1.126 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 46.2 m-85 -121.28 135.76 55.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.582 0.813 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.85 HD22 HG11 ' A' ' 44' ' ' VAL . 36.5 mt -47.6 174.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.614 ' HD1' HG13 ' A' ' 44' ' ' VAL . 7.4 p90 -80.31 -25.21 39.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.53 -55.81 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.22 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 165.64 -28.95 0.2 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.364 1.04 . . . . 0.0 111.048 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.708 ' HB ' HD12 ' A' ' 77' ' ' LEU . 19.1 m -66.31 133.47 50.62 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.426 0.721 . . . . 0.0 110.271 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -68.05 135.61 52.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.611 ' CZ2' ' OD2' ' A' ' 41' ' ' ASP . 35.6 t-105 -102.57 -91.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 177.15 -47.77 0.1 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.403 1.064 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.682 HG23 HG21 ' A' ' 40' ' ' VAL . 1.9 m 65.38 -66.2 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 0.805 . . . . 0.0 110.406 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.594 HG12 ' N ' ' A' ' 87' ' ' ASP . 77.7 t 64.48 -102.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.594 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.9 OUTLIER -96.41 105.03 17.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 39.3 t -89.75 39.64 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 108.385 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.9 t -88.83 -21.45 23.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.387 1.054 . . . . 0.0 110.425 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.9 m -88.43 -47.95 7.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.613 1.196 . . . . 0.0 110.416 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.743 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -90.02 106.65 18.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -49.25 116.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.47 126.57 33.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 108.363 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.557 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 33.6 mt-30 -98.98 110.54 23.14 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.055 ' O ' HG12 ' A' ' 108' ' ' VAL . 36.8 t -87.42 114.85 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.332 1.02 . . . . 0.0 109.31 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.493 ' C ' HD13 ' A' ' 97' ' ' LEU . . . -167.23 174.33 42.44 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.913 HD12 HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -108.51 113.05 25.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.217 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.4 p -83.57 155.84 23.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.964 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -42.79 163.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.149 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.25 -21.49 65.22 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.392 1.057 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.16 -8.79 52.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.227 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.84 28.49 50.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.665 1.228 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.408 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 12.6 p30 -146.25 156.04 43.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.799 . . . . 0.0 109.229 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.77 148.75 4.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.57 1.169 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.1 -12.6 21.33 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.479 1.778 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.63 109.8 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.54 137.26 3.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.583 1.177 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 1.055 HG12 ' O ' ' A' ' 95' ' ' VAL . 12.0 p -103.94 127.23 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.9 93.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 1.031 HG23 HD13 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -70.1 126.19 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.394 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 10' ' ' SER . 12.1 m . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.112 . . . . 0.0 109.93 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.742 ' HG2' HG21 ' A' ' 6' ' ' THR . 17.8 Cg_endo . . . . . 0 N--CA 1.452 -0.949 0 N-CA-C 110.924 -0.452 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.491 ' HB ' HD22 ' A' ' 26' ' ' LEU . 4.4 p 51.58 -139.83 0.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.577 1.173 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.669 ' HB2' HD21 ' A' ' 97' ' ' LEU . . . -75.22 115.75 15.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.742 HG21 ' HG2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -142.24 142.86 32.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.37 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.953 HG12 ' CG2' ' A' ' 19' ' ' VAL . 1.2 t -79.18 143.31 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.484 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.53 -56.02 1.38 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.426 1.079 . . . . 0.0 110.397 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.881 ' CD ' HG21 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.88 -171.88 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.382 1.728 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.9 p -151.56 -60.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.65 159.31 35.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.42 28.36 67.91 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.424 1.078 . . . . 0.0 110.955 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.867 HD22 HG11 ' A' ' 69' ' ' VAL . 0.8 OUTLIER -78.41 174.98 10.71 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.411 0.712 . . . . 0.0 109.375 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.863 ' N ' HD12 ' A' ' 13' ' ' LEU . 3.7 t -128.31 153.24 47.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.404 1.065 . . . . 0.0 109.999 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.5 56.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 163.17 31.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.414 ' O ' ' HB ' ' A' ' 69' ' ' VAL . 8.6 m -91.74 102.89 15.51 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.469 0.746 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.511 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.6 p -93.48 128.15 45.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.404 1.065 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.953 ' CG2' HG12 ' A' ' 7' ' ' VAL . 33.2 m -152.35 -161.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.575 1.172 . . . . 0.0 109.369 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 5.8 pttm -113.96 140.74 48.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.689 HG13 ' C ' ' A' ' 6' ' ' THR . 2.5 t -111.64 107.22 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.231 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.24 129.26 35.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.596 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -108.31 100.01 1.4 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.0 104.74 16.77 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.552 0.795 . . . . 0.0 109.36 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.7 32.62 14.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.604 1.19 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.609 HD12 ' H ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -80.68 -141.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.736 . . . . 0.0 109.227 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.981 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 10.3 mm100 -76.9 73.06 3.51 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.602 1.189 . . . . 0.0 110.407 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . -58.83 87.14 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 115.71 -30.59 6.55 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.487 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -92.68 -171.04 2.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 110.405 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.856 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -150.49 140.99 22.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.401 1.063 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.89 ' HB2' HD12 ' A' ' 97' ' ' LEU . 9.4 m-30 -123.68 -169.82 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 111.013 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.517 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 5.7 t0 -123.52 118.9 28.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 51' ' ' ASP . 2.5 t -71.37 129.8 35.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.621 1.201 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.529 ' CA ' ' OD1' ' A' ' 51' ' ' ASP . . . -172.7 114.38 0.52 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.429 1.081 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.731 ' HG2' HG22 ' A' ' 95' ' ' VAL . 2.6 mt-30 -55.34 88.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.651 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -98.68 147.33 24.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 166.9 172.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.372 1.045 . . . . 0.0 109.216 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.425 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 9.1 p90 -69.63 86.33 0.47 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.886 HG22 HG21 ' A' ' 85' ' ' THR . 0.4 OUTLIER -86.33 -49.7 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.206 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.538 ' HB2' ' CG ' ' A' ' 83' ' ' TRP . 1.2 t70 -91.78 170.87 9.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.186 . . . . 0.0 109.219 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.526 ' N ' ' CG ' ' A' ' 41' ' ' ASP . 27.9 m -33.66 94.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.597 1.186 . . . . 0.0 110.36 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 44.12 25.66 0.74 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 111.065 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.735 HG11 HD22 ' A' ' 77' ' ' LEU . 2.6 t -103.8 121.82 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.543 0.79 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.9 OUTLIER -74.97 88.12 2.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.688 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -96.93 146.86 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 59.3 m -102.89 155.18 18.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.52 ' CB ' HE21 ' A' ' 36' ' ' GLN . 9.7 m-80 -92.49 110.64 46.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.381 1.051 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.664 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 17.9 Cg_endo -74.98 7.54 2.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.591 1.838 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.741 ' HB1' ' CE2' ' A' ' 73' ' ' PHE . . . -105.95 -4.08 21.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.234 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.67 ' HB2' ' NE2' ' A' ' 36' ' ' GLN . 10.5 t0 -113.83 2.6 15.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.664 ' CD2' ' HA ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -58.25 107.85 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.415 ' CB ' HD21 ' A' ' 67' ' ' LEU . 38.9 t -153.62 96.71 2.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 12.4 p -60.02 132.4 53.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.891 HG21 ' HB ' ' A' ' 65' ' ' THR . 1.7 p -147.24 161.2 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.856 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -122.03 158.72 28.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.344 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.981 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -105.48 137.76 42.79 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -67.74 156.47 36.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.415 1.072 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.06 -34.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.405 1.065 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -87.42 36.99 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 39.13 41.5 1.42 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -102.72 101.47 11.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 0.0 109.991 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.596 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . . . -105.87 78.26 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.6 p -90.35 78.08 6.5 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.4 1.063 . . . . 0.0 109.915 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.891 ' HB ' HG21 ' A' ' 55' ' ' VAL . 15.0 t -108.33 129.14 55.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.548 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.463 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 19.6 p -98.17 147.93 24.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -158.58 -178.68 7.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.207 -179.913 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 9.6 t -106.26 128.92 54.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.867 HG11 HD22 ' A' ' 13' ' ' LEU . 60.0 t -88.54 88.41 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -107.98 79.37 1.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.662 ' HD2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -47.72 -25.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.36 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 10.2 p -92.32 112.21 24.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.741 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -179.61 162.14 1.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.594 1.184 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.533 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 5.9 tt0 -82.81 113.59 20.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.39 163.72 37.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.403 1.064 . . . . 0.0 111.036 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.565 ' CZ ' ' HG2' ' A' ' 82' ' ' ARG . 2.2 m-85 -119.71 121.73 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.724 . . . . 0.0 110.997 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.735 HD22 HG11 ' A' ' 44' ' ' VAL . 39.4 mt -41.67 161.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -75.9 -27.7 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 111.041 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -66.38 -54.8 20.21 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.06 -28.18 0.22 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.66 ' HB ' HD12 ' A' ' 77' ' ' LEU . 7.4 m -67.68 157.81 33.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 0.0 110.349 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -90.46 135.44 33.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.63 1.206 . . . . 0.0 110.281 179.939 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.538 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 65.7 t-105 -101.93 -89.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.533 ' HA2' ' CG ' ' A' ' 74' ' ' GLU . . . 144.21 -81.15 0.22 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.607 1.192 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.886 HG21 HG22 ' A' ' 40' ' ' VAL . 2.0 m 67.54 -57.4 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 72' ' ' SER . 59.0 t 72.1 -103.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.461 ' N ' HG12 ' A' ' 86' ' ' VAL . 9.7 t70 -64.51 96.6 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.059 . . . . 0.0 109.35 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 16.1 t -87.83 46.6 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 108.375 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 74.8 m -85.92 -22.19 27.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.496 1.122 . . . . 0.0 110.415 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.1 m -89.47 -44.45 10.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.627 1.205 . . . . 0.0 110.367 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.428 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -88.02 142.75 27.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.748 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -91.0 87.67 6.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.409 1.068 . . . . 0.0 109.233 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.484 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 63.3 m -67.84 133.89 49.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 108.394 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.443 ' H ' ' HB2' ' A' ' 38' ' ' ALA . 33.0 mt-30 -97.85 115.61 28.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.731 HG22 ' HG2' ' A' ' 36' ' ' GLN . 1.9 t -88.34 125.73 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.398 1.061 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -178.55 174.46 46.67 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.89 HD12 ' HB2' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -105.69 129.6 53.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 0.719 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.531 ' CB ' ' HB3' ' A' ' 105' ' ' PRO . 84.4 p -104.79 165.06 11.33 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.498 1.123 . . . . 0.0 110.095 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.564 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -86.05 158.91 19.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.393 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.79 13.1 15.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 109.32 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.86 -47.28 3.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.42 51.61 0.28 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 105' ' ' PRO . 82.2 m-20 -113.87 146.08 40.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 0.761 . . . . 0.0 109.364 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -31.66 93.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.817 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.531 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 18.2 Cg_endo -75.06 151.17 38.92 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.488 1.783 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.478 ' HG2' HG21 ' A' ' 4' ' ' THR . 0.9 OUTLIER -91.25 150.36 21.36 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 179.926 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -176.78 138.65 4.09 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 110' ' ' ILE . 2.2 p -105.69 120.58 56.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.587 0.816 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.748 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -61.61 82.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.392 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.618 HG23 ' CD2' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -84.78 158.29 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.614 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.5 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.055 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.6 ' C ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.6 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.2 p 61.76 -163.89 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.61 1.194 . . . . 0.0 110.431 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.606 ' HB2' HD23 ' A' ' 26' ' ' LEU . . . -62.42 112.79 2.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.212 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.573 HG22 ' CG2' ' A' ' 108' ' ' VAL . 0.9 OUTLIER -140.48 146.11 37.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.827 HG13 ' HB ' ' A' ' 19' ' ' VAL . 1.5 t -88.01 121.75 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.744 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -55.95 -68.8 0.49 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 110.43 -179.921 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.928 ' HG2' HG12 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.93 59.88 5.24 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.581 1.832 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.55 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 85.0 p -88.3 21.56 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -107.94 137.7 45.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.586 1.179 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 37.57 48.18 1.72 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.421 1.075 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.831 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -42.99 163.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 0.0 109.347 179.922 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -139.38 142.92 37.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.674 1.234 . . . . 0.0 109.955 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -53.68 90.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.482 ' HA2' ' CG2' ' A' ' 68' ' ' THR . . . 104.43 38.75 2.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.585 1.178 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.613 HG22 HG13 ' A' ' 19' ' ' VAL . 1.0 OUTLIER -93.13 124.35 37.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 110.332 179.896 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -74.64 113.64 13.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.928 HG12 ' HG2' ' A' ' 9' ' ' PRO . 5.5 m -118.92 154.9 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.304 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 111.59 23.99 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.616 1.197 . . . . 0.0 109.218 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.738 HG22 HG23 ' A' ' 7' ' ' VAL . 95.2 t -89.17 92.31 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -88.66 116.55 26.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.457 ' HA2' ' N ' ' A' ' 5' ' ' ALA . . . -101.55 75.5 0.36 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.096 . . . . 0.0 111.062 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.453 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . . . -78.06 104.75 8.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.38 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 79.16 35.62 29.81 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.621 1.201 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.804 HD21 HD21 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -61.5 -121.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.584 0.814 . . . . 0.0 109.214 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.718 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -85.04 33.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 76.08 -13.59 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.636 1.21 . . . . 0.0 109.359 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.784 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 132.31 3.97 3.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.54 HG22 ' H ' ' A' ' 31' ' ' ALA . 2.0 m -58.01 -154.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.417 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.66 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -135.7 142.06 45.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.405 1.066 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.607 ' CD1' ' HA ' ' A' ' 99' ' ' ASP . 6.1 m-30 -151.04 169.9 20.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -91.02 111.22 22.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.943 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.673 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -79.06 136.86 22.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 109.226 -179.891 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.591 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 178.03 160.4 24.39 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.608 1.192 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.829 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -96.41 101.51 13.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 0.796 . . . . 0.0 110.22 -179.932 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 3.5 t -107.89 151.64 25.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 108.334 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 175.47 167.54 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 109.309 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -68.24 108.18 3.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.632 1.207 . . . . 0.0 108.01 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.986 HG22 ' OG1' ' A' ' 85' ' ' THR . 0.4 OUTLIER -93.32 -46.0 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.362 179.949 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.609 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -89.7 -161.02 0.74 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.9 m -70.06 84.38 0.52 Allowed 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 124.378 1.049 . . . . 0.0 110.435 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.71 20.71 70.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.461 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 98.8 t -101.2 110.37 27.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.539 0.788 . . . . 0.0 109.228 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.496 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -62.06 99.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.976 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -111.32 135.5 51.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 48.7 m -97.11 156.02 16.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 108.291 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.644 HD22 ' N ' ' A' ' 48' ' ' ASN . 1.9 m120 -79.25 161.64 67.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.403 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.552 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.1 -13.85 21.08 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.6 1.842 . . . . 0.0 110.942 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.62 18.73 20.55 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.591 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.02 9.26 20.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.552 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -104.38 88.23 2.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.628 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -148.33 83.73 1.49 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.629 1.206 . . . . 0.0 109.92 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.87 143.83 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.96 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.693 HG21 ' CB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -156.22 164.04 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 O-C-N 124.354 1.034 . . . . 0.0 109.364 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.66 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -145.41 153.65 41.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.424 1.077 . . . . 0.0 110.438 179.926 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.784 ' HB3' ' HA2' ' A' ' 29' ' ' GLY . . . -101.53 145.1 29.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.629 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER -59.02 160.96 5.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.7 -33.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.362 1.039 . . . . 0.0 109.108 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -88.39 34.04 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.197 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.629 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.82 45.11 7.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.156 . . . . 0.0 111.065 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 17.2 m -113.98 97.47 6.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 0.742 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.78 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -102.66 82.43 2.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.4 p -91.99 79.13 5.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.574 1.171 . . . . 0.0 110.043 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.693 ' CB ' HG21 ' A' ' 55' ' ' VAL . 2.3 t -107.36 142.68 36.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 110.39 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.8 p -100.21 133.18 44.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.687 1.242 . . . . 0.0 109.878 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.45 166.63 22.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.746 HG22 ' HG2' ' A' ' 70' ' ' ARG . 2.3 m -105.8 133.18 50.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.386 1.054 . . . . 0.0 110.439 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.603 HG23 HG22 ' A' ' 19' ' ' VAL . 22.7 t -88.79 84.88 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.746 ' HG2' HG22 ' A' ' 68' ' ' THR . 5.7 mmt85 -88.09 68.33 9.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.609 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 5.6 ttm180 -37.19 -30.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 21.8 p -93.88 122.25 36.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.927 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.7 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 178.01 168.12 0.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.429 1.08 . . . . 0.0 110.971 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -93.05 110.23 21.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.418 1.074 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.1 163.63 54.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.585 1.178 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -138.51 117.27 12.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.507 0.769 . . . . 0.0 110.984 -179.934 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.645 HD21 ' HB2' ' A' ' 83' ' ' TRP . 18.2 mt -52.78 163.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 79' ' ' ASP . 2.7 p90 -77.64 -34.29 53.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.422 1.076 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 78' ' ' PHE . 2.5 t0 -53.52 -50.56 65.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.548 1.155 . . . . 0.0 109.403 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.24 -22.1 0.76 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.2 m -77.95 138.62 38.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 0.76 . . . . 0.0 110.347 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 9.1 ptp180 -83.85 142.97 30.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.636 1.21 . . . . 0.0 110.244 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.645 ' HB2' HD21 ' A' ' 77' ' ' LEU . 76.0 t-105 -104.99 -90.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.485 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 150.06 -75.13 0.26 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.394 1.058 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.986 ' OG1' HG22 ' A' ' 40' ' ' VAL . 1.2 m 68.15 -57.25 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.648 0.852 . . . . 0.0 110.418 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 72' ' ' SER . 96.1 t 72.67 -102.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.503 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -73.16 101.58 3.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 0.9 OUTLIER -83.56 72.0 10.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 108.3 -179.937 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.5 m -105.55 -27.46 11.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 110.341 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.8 m -88.48 -43.27 11.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.313 1.008 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.442 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -87.05 140.51 29.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.37 90.07 7.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.066 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 29.3 m -65.97 132.07 47.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 108.307 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 87.8 mt-30 -104.13 116.99 33.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.829 HG22 ' HG2' ' A' ' 36' ' ' GLN . 13.6 t -88.36 116.2 29.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.447 1.092 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -169.53 172.75 43.7 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.471 1.107 . . . . 0.0 111.091 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.804 HD21 HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -107.0 134.91 49.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.747 . . . . 0.0 109.351 179.883 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.3 p -104.66 167.54 9.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.607 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -64.28 161.53 16.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.55 -3.88 48.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.348 1.03 . . . . 0.0 109.325 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.25 -14.11 58.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.62 28.38 8.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.569 1.168 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 26.4 p-10 -150.03 160.63 43.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 0.729 . . . . 0.0 109.225 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 146.96 111.69 0.68 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -5.42 16.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.1 120.52 6.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 110.277 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -179.15 136.79 2.94 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.807 HG11 ' H ' ' A' ' 7' ' ' VAL . 8.2 p -103.92 118.31 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.415 0.715 . . . . 0.0 109.365 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.88 92.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.744 HG13 HG11 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -88.95 136.59 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.612 1.195 . . . . 0.0 109.247 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 4.1 t . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.437 1.086 . . . . 0.0 110.056 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.723 ' C ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.723 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER 66.68 -146.33 0.17 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.812 ' HB1' HD11 ' A' ' 97' ' ' LEU . . . -76.52 111.01 11.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.586 1.179 . . . . 0.0 109.445 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.49 HG22 ' CG2' ' A' ' 108' ' ' VAL . 1.8 p -149.37 150.74 32.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.949 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.1 t -74.2 131.24 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.474 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.24 -55.27 1.4 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.949 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.14 -159.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.403 1.739 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.58 -44.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 109.989 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.43 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 45.1 m -78.81 78.99 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.597 ' CA ' HG11 ' A' ' 69' ' ' VAL . . . -58.58 -11.62 10.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.608 1.193 . . . . 0.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 111' ' ' SER . 1.3 pp -68.95 59.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -136.61 119.69 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.946 -179.892 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 14' ' ' SER . 6.0 p-10 -34.97 94.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 42.69 69.21 0.64 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.418 1.074 . . . . 0.0 111.016 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.508 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -74.29 123.22 24.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.358 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -94.46 120.15 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.382 1.051 . . . . 0.0 109.324 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.9 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -148.17 -170.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.467 1.105 . . . . 0.0 109.185 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 42.2 mttt -121.48 131.28 54.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.51 HG22 ' HA ' ' A' ' 7' ' ' VAL . 71.6 t -97.61 106.35 18.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -87.31 135.56 33.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -115.39 73.18 0.25 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.08 122.39 25.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 0.0 109.215 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 80.33 23.59 60.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.522 ' CD2' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -84.97 -146.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.451 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 2.4 mt-30 -83.67 80.96 8.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.503 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . -61.13 130.09 44.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.365 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.05 -22.89 16.36 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.546 1.153 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.449 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -90.59 -174.0 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 0.0 110.452 179.932 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.945 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -160.34 150.3 18.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -149.89 174.7 12.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 111.07 179.934 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -94.87 119.8 34.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.233 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.823 HG23 HG21 ' A' ' 55' ' ' VAL . 1.4 t -74.27 134.18 30.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.693 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . -179.48 147.88 7.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.666 1.229 . . . . 0.0 111.012 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.581 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -93.15 108.53 20.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 110.353 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.472 ' SG ' ' CD1' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -106.39 154.56 20.62 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.58 1.175 . . . . 0.0 108.326 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 92' ' ' ALA . . . 177.68 162.95 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.562 ' CE3' ' O ' ' A' ' 39' ' ' TRP . 65.0 p-90 -67.11 106.47 1.99 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.059 HG22 ' OG1' ' A' ' 85' ' ' THR . 0.3 OUTLIER -89.11 -42.39 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.607 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 4.8 t0 -82.51 -153.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 42' ' ' THR . 7.5 t -80.79 54.74 2.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.49 1.119 . . . . 0.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.1 -0.82 40.94 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.426 1.079 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.519 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 18.0 t -79.62 115.25 21.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.376 0.692 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.472 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -63.17 99.46 0.18 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.311 1.007 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.964 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -109.61 145.25 36.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.0 m -103.77 159.13 15.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 0.0 108.304 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.7 HD22 ' N ' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -84.77 160.22 56.24 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.559 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 18.4 Cg_endo -74.93 -16.79 20.19 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.534 1.807 . . . . 0.0 111.021 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.53 17.6 23.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.576 1.173 . . . . 0.0 109.239 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.693 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.36 13.12 10.44 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.376 1.048 . . . . 0.0 109.336 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CD2' ' O ' ' A' ' 49' ' ' PRO . 16.1 m-85 -106.26 91.9 3.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 30.5 t -144.09 80.0 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 0.0 110.066 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.688 ' O ' HG13 ' A' ' 55' ' ' VAL . 96.3 p -46.08 136.48 6.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.967 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.823 HG21 HG23 ' A' ' 34' ' ' VAL . 6.7 m -159.75 168.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.945 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -139.02 169.28 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.918 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -106.57 138.48 42.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -73.75 154.7 39.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.86 -27.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.455 ' N ' ' C ' ' A' ' 58' ' ' ASP . 6.4 t30 -87.3 31.45 0.73 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.07 41.56 2.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.479 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 71.7 m -118.04 113.42 21.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 0.728 . . . . 0.0 109.99 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.48 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . . . -98.43 95.81 7.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.059 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.4 p -88.18 87.31 7.28 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.589 ' HB ' HG11 ' A' ' 55' ' ' VAL . 3.3 p -107.27 165.91 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.374 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 2.2 p -136.56 133.93 36.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.059 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.836 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -160.43 167.72 26.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.373 1.045 . . . . 0.0 109.173 -179.942 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.836 ' H ' HD13 ' A' ' 67' ' ' LEU . 11.1 t -105.27 142.84 34.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.37 1.044 . . . . 0.0 110.402 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.597 HG11 ' CA ' ' A' ' 12' ' ' GLY . 60.8 t -88.88 87.22 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.522 ' NH1' ' HB2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -88.94 126.84 35.57 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.616 1.198 . . . . 0.0 110.378 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.408 ' C ' HH12 ' A' ' 70' ' ' ARG . 2.1 tmm_? -93.33 -37.0 12.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 0.0 110.165 -179.816 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 2.4 m -106.02 125.27 50.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CD2' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 174.92 161.99 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.913 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 2.6 tp10 -83.14 125.17 31.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.207 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.404 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -94.09 170.92 30.75 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.458 1.098 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.489 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -130.36 126.3 36.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 0.0 110.988 -179.934 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 83' ' ' TRP . 4.9 mt -62.02 157.14 19.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.394 1.059 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -75.17 -29.43 60.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 111.018 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -54.59 -56.36 19.81 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.58 -26.79 0.24 Allowed Glycine 0 CA--C 1.532 1.122 0 O-C-N 124.476 1.11 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m -83.73 149.35 26.52 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 0.781 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 8.9 mtt-85 -86.05 144.67 27.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 110.363 179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.607 ' CE3' ' OD1' ' A' ' 41' ' ' ASP . 44.5 t-105 -104.74 -90.52 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.518 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 146.86 -75.8 0.28 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.518 1.136 . . . . 0.0 111.093 -179.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 1.059 ' OG1' HG22 ' A' ' 40' ' ' VAL . 17.0 m 69.22 -55.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 0.726 . . . . 0.0 110.318 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.501 ' HB ' ' O ' ' A' ' 85' ' ' THR . 65.8 t 73.03 -100.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.426 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -60.69 117.59 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 9.2 t -91.07 40.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.373 1.046 . . . . 0.0 108.193 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.6 t -90.06 -24.1 21.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 110.399 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.7 m -89.57 -57.92 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HA ' ' CH2' ' A' ' 39' ' ' TRP . . . -90.31 137.38 32.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.539 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -82.04 127.84 33.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.387 1.054 . . . . 0.0 109.21 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 122.07 33.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.072 . . . . 0.0 108.285 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.579 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 21.4 mt-30 -102.98 117.5 34.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.538 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.3 t -86.3 116.81 29.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.342 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -156.49 168.07 33.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.904 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.859 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -105.96 127.01 52.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.579 0.811 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 32' ' ' TYR . 21.5 t -95.65 145.95 24.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.958 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -96.83 159.61 14.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.38 -3.58 37.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.88 -19.25 26.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.0 42.36 25.03 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 0.4 OUTLIER -94.72 137.1 34.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.82 97.68 0.01 OUTLIER Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.561 1.163 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.3 Cg_endo -75.02 139.32 24.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.565 1.824 . . . . 0.0 110.983 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.83 107.49 19.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -99.5 153.71 19.65 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.418 1.074 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 95' ' ' VAL . 9.6 p -105.39 114.52 45.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.6 0.824 . . . . 0.0 109.257 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.98 93.97 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.677 HD13 HG21 ' A' ' 7' ' ' VAL . 3.0 tp -70.89 145.0 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.656 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.155 . . . . 0.0 109.945 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.427 ' O ' HG23 ' A' ' 6' ' ' THR . 18.8 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 111.073 -0.395 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.604 ' HB ' HD22 ' A' ' 26' ' ' LEU . 10.1 p 36.34 -135.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.47 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.6 ' HB2' HD21 ' A' ' 97' ' ' LEU . . . -86.58 113.14 22.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -141.58 147.76 38.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.57 1.169 . . . . 0.0 110.489 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.98 HG12 ' HD2' ' A' ' 9' ' ' PRO . 4.5 t -80.53 133.35 29.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.586 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.81 -60.73 0.44 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 110.415 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.98 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.9 Cg_endo -74.96 -159.79 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.781 . . . . 0.0 111.038 179.87 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.744 ' HA ' HD11 ' A' ' 110' ' ' ILE . 18.5 m -151.79 -64.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.0 164.09 14.95 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.113 . . . . 0.0 110.033 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.01 25.02 53.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.09 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.002 HD12 HG23 ' A' ' 110' ' ' ILE . 4.3 mt -79.08 152.75 30.66 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.465 0.744 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.4 t -126.01 150.56 48.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.427 ' CB ' ' HB2' ' A' ' 72' ' ' SER . 0.3 OUTLIER -55.65 81.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.395 1.059 . . . . 0.0 109.382 179.927 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 125.55 35.32 0.61 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.456 ' O ' ' HA ' ' A' ' 68' ' ' THR . 83.9 m -85.78 105.2 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 0.752 . . . . 0.0 110.304 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -73.38 118.62 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.803 HG11 ' CG ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -144.91 176.85 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.61 1.193 . . . . 0.0 109.141 -179.875 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -114.45 127.63 55.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.631 HG22 HG22 ' A' ' 7' ' ' VAL . 53.0 t -101.51 107.45 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.21 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.15 128.44 35.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.577 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -106.38 93.18 0.85 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.535 1.147 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.4 104.5 17.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 0.792 . . . . 0.0 109.23 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.36 30.42 27.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.629 HD12 ' H ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.66 -141.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.347 179.864 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.998 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 19.0 mm-40 -52.42 90.81 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.564 1.165 . . . . 0.0 110.322 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.02 84.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 76.99 5.06 84.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.573 1.17 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.515 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -90.0 -175.81 4.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 0.769 . . . . 0.0 110.399 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.77 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -144.11 115.54 8.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.606 ' CE1' ' OE1' ' A' ' 27' ' ' GLN . 4.6 m-30 -115.52 -168.89 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.432 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 37.1 t70 -115.58 111.84 21.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.705 1.253 . . . . 0.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.729 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -76.39 138.68 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.643 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 179.6 153.69 12.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.523 ' CG ' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.12 96.01 9.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.759 . . . . 0.0 110.279 -179.92 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.622 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 11.8 t -107.36 164.09 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 108.351 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 167.57 159.22 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.578 1.174 . . . . 0.0 109.241 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.499 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 28.8 p90 -74.15 118.81 17.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 107.988 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.057 HG11 ' CG ' ' A' ' 83' ' ' TRP . 1.2 p -108.61 -36.14 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.411 179.908 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -90.38 -175.41 4.47 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 44' ' ' VAL . 17.1 m -54.47 84.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.367 -179.892 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 59.95 18.01 45.77 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.509 1.131 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.959 ' CG1' HD23 ' A' ' 77' ' ' LEU . 9.6 t -93.97 122.67 45.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.401 0.706 . . . . 0.0 109.247 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 13.8 tp -77.32 112.21 13.79 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.387 1.054 . . . . 0.0 109.38 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.465 ' HB2' ' HG ' ' A' ' 77' ' ' LEU . . . -125.21 140.75 52.58 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.609 1.193 . . . . 0.0 109.361 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.9 m -110.52 150.44 28.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 108.417 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.575 ' CG ' ' CZ ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -78.15 168.28 28.79 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.594 1.184 . . . . 0.0 109.343 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.557 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.8 Cg_endo -74.99 -9.55 20.83 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.17 16.66 23.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.643 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -87.5 6.25 35.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 109.214 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.557 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -107.98 96.43 6.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 110.907 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.442 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -150.06 84.56 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.041 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.553 ' O ' HG23 ' A' ' 55' ' ' VAL . 91.3 p -38.48 144.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.946 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 54' ' ' SER . 2.7 t -155.93 153.38 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.77 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -139.19 141.67 37.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.468 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.998 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -105.97 142.61 35.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -64.68 158.06 25.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.65 -28.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.425 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' C ' ' A' ' 58' ' ' ASP . 19.0 t30 -87.67 33.23 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.15 41.55 4.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.12 100.17 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 0.712 . . . . 0.0 110.019 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.962 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -103.04 82.46 2.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.0 p -88.81 83.16 6.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.368 1.042 . . . . 0.0 109.945 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.524 HG21 HG21 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -106.96 163.02 13.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.395 179.929 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.5 p -135.35 134.56 39.93 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.956 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.885 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -158.73 172.23 18.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.885 ' H ' HD13 ' A' ' 67' ' ' LEU . 14.3 t -106.17 140.75 38.65 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.564 1.165 . . . . 0.0 110.513 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.593 HG21 HD13 ' A' ' 13' ' ' LEU . 9.3 t -88.24 87.51 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.673 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -88.29 65.45 8.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.338 1.024 . . . . 0.0 110.351 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.542 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 5.7 ttp85 -39.15 -28.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 86' ' ' VAL . 4.2 m -93.79 137.11 33.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 110.061 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.673 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 161.44 175.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.373 1.046 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.593 ' HA ' ' HA2' ' A' ' 84' ' ' GLY . 4.5 tp10 -92.98 103.94 16.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.653 ' HA3' ' CE3' ' A' ' 83' ' ' TRP . . . -80.33 166.47 49.68 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.524 1.14 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -146.37 145.66 30.37 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.512 0.772 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.959 HD23 ' CG1' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -91.25 145.77 24.38 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.196 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -83.92 -11.68 56.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -43.09 57.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 154.64 -24.64 0.65 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.406 1.066 . . . . 0.0 111.092 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.881 ' HB ' HD22 ' A' ' 77' ' ' LEU . 22.6 m -76.16 168.51 19.91 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 0.747 . . . . 0.0 110.3 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.537 ' C ' HD13 ' A' ' 77' ' ' LEU . 9.2 ptp180 -109.53 142.02 41.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 1.057 ' CG ' HG11 ' A' ' 40' ' ' VAL . 1.5 t90 -97.15 -86.23 0.34 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.593 ' HA2' ' HA ' ' A' ' 74' ' ' GLU . . . 83.57 -114.71 3.92 Favored Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.552 1.158 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.738 ' C ' HG23 ' A' ' 86' ' ' VAL . 26.7 m 82.81 -54.06 0.18 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.462 0.742 . . . . 0.0 110.463 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.738 HG23 ' C ' ' A' ' 85' ' ' THR . 2.8 t 85.79 -15.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -144.53 111.29 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 7.9 t -91.79 66.48 5.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.606 1.191 . . . . 0.0 108.329 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 t -104.17 -15.48 15.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 91' ' ' ALA . 9.7 t -89.34 -54.77 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 110.372 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.734 ' HB3' HG23 ' A' ' 40' ' ' VAL . . . -90.46 155.2 19.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -88.22 118.68 27.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.604 1.19 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.01 124.27 35.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.365 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.487 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -105.43 123.33 47.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.608 1.193 . . . . 0.0 110.273 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.523 HG13 ' CG ' ' A' ' 36' ' ' GLN . 1.9 t -89.41 132.04 35.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 179.15 172.45 43.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.729 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -107.35 136.25 47.48 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.928 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.8 p -106.08 159.09 16.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.603 1.189 . . . . 0.0 110.084 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.586 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -69.14 161.22 29.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.891 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.03 -5.02 58.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.4 -84.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -177.81 35.92 0.08 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.578 1.174 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 61.8 m-80 -148.94 163.89 36.16 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.476 0.751 . . . . 0.0 109.407 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 164.58 81.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.81 -6.44 18.15 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.5 145.83 41.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 143.37 130.62 2.42 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.501 1.125 . . . . 0.0 111.131 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 4.2 p -106.03 134.61 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.386 0.698 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.79 93.97 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 1.002 HG23 HD12 ' A' ' 13' ' ' LEU . 1.1 tp -102.74 144.98 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.051 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.725 ' HG2' HG21 ' A' ' 6' ' ' THR . 17.9 Cg_endo . . . . . 0 N--CA 1.455 -0.767 0 N-CA-C 110.91 -0.458 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.435 ' HG1' ' C ' ' A' ' 3' ' ' PRO . 73.5 p 46.66 -124.5 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.727 ' HB2' HD23 ' A' ' 26' ' ' LEU . . . -83.49 122.44 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.725 HG21 ' HG2' ' A' ' 3' ' ' PRO . 1.1 p -144.01 146.94 33.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.11 . . . . 0.0 110.384 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.632 HG13 ' HD2' ' A' ' 9' ' ' PRO . 2.3 t -87.62 115.31 27.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.659 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -38.22 -64.35 0.46 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.659 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.03 -155.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.434 1.755 . . . . 0.0 111.031 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.519 ' OG ' ' CD2' ' A' ' 13' ' ' LEU . 95.6 p -104.79 -24.77 12.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.541 1.151 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.75 ' OG ' HG11 ' A' ' 19' ' ' VAL . 0.5 OUTLIER 48.92 -179.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.893 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.18 -46.64 3.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.519 ' CD2' ' OG ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -42.96 -34.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.553 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -129.17 116.61 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.94 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.493 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 14.5 p-10 -59.06 78.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.07 . . . . 0.0 109.274 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.616 ' C ' HG23 ' A' ' 68' ' ' THR . . . 128.04 40.5 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.478 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 24.0 m -87.82 121.84 30.73 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.474 0.749 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.01 122.47 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.75 HG11 ' OG ' ' A' ' 11' ' ' SER . 1.2 m -136.35 175.87 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.359 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -118.44 116.02 25.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.362 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.424 HG22 ' CG2' ' A' ' 7' ' ' VAL . 80.5 t -90.7 100.18 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.17 124.23 33.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -103.58 107.2 2.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.35 98.82 8.55 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.495 0.762 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.57 39.98 20.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.918 ' HG ' HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -88.93 -122.04 0.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 109.374 179.938 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.815 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 14.1 mm100 -38.89 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.547 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 61.9 26.06 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 124.91 -15.43 7.42 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.467 1.104 . . . . 0.0 110.954 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.55 ' CA ' ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -83.46 -166.48 1.39 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 0.816 . . . . 0.0 110.418 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.972 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -150.73 148.69 28.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.637 1.211 . . . . 0.0 109.218 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.656 ' CD2' ' OE1' ' A' ' 27' ' ' GLN . 2.6 m-30 -150.15 -172.19 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.456 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -100.71 113.49 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.911 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.64 HG23 HG11 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -82.04 139.84 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 -179.956 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.602 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 171.86 160.48 20.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.365 1.041 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.54 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.6 OUTLIER -92.04 101.49 14.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.288 -179.927 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.499 ' SG ' ' CD1' ' A' ' 45' ' ' LEU . 2.7 t -106.4 153.55 22.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 108.251 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -179.49 159.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.363 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.582 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 20.0 m-90 -67.72 112.34 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 108.006 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.645 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -101.96 -49.8 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.91 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.594 ' OD2' HG21 ' A' ' 44' ' ' VAL . 1.1 t70 -91.09 169.32 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.575 ' O ' ' CG2' ' A' ' 42' ' ' THR . 1.5 t -35.25 102.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.474 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.87 26.37 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.734 ' CG1' HD12 ' A' ' 77' ' ' LEU . 2.1 t -101.89 122.84 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.577 0.81 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -74.73 109.44 8.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.487 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -121.39 141.69 50.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.403 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.7 m -104.89 158.64 16.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.374 1.046 . . . . 0.0 108.282 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.487 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -82.54 164.97 44.85 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.605 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.02 -15.16 20.85 Favored 'Trans proline' 0 C--N 1.362 1.27 0 O-C-N 124.477 1.778 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.631 ' HB2' HH11 ' A' ' 70' ' ' ARG . . . -105.47 12.81 31.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 109.213 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.603 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -89.32 11.49 18.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.585 1.178 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -105.75 87.81 2.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.354 1.034 . . . . 0.0 110.947 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.498 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -147.64 86.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.904 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -36.76 151.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.043 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.671 HG23 ' HB ' ' A' ' 65' ' ' THR . 14.7 p -155.06 156.38 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.972 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -146.26 131.0 17.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.382 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.815 ' HB3' ' HB2' ' A' ' 27' ' ' GLN . . . -93.31 122.89 36.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.204 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 61' ' ' GLY . 1.3 m-20 -50.56 165.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.377 1.048 . . . . 0.0 109.3 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.77 -42.29 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.391 1.057 . . . . 0.0 109.318 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -86.75 38.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.2 39.34 3.99 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -94.43 90.25 6.16 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.438 0.728 . . . . 0.0 110.024 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.705 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.14 80.34 1.5 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.6 1.188 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -93.96 80.31 4.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.397 1.061 . . . . 0.0 110.004 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.671 ' HB ' HG23 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -107.99 131.73 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.358 1.036 . . . . 0.0 110.356 -179.941 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 10.8 p -102.36 137.68 40.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.428 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -154.54 178.21 10.33 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.406 1.066 . . . . 0.0 109.344 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.645 HG22 ' HG3' ' A' ' 70' ' ' ARG . 4.4 m -103.85 127.94 51.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.445 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.694 HG11 HG12 ' A' ' 110' ' ' ILE . 25.2 t -88.88 88.89 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.645 ' HG3' HG22 ' A' ' 68' ' ' THR . 0.8 OUTLIER -92.73 95.19 9.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.241 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -62.73 -39.02 92.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.505 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -87.98 130.32 34.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.925 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 163.44 173.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.394 1.059 . . . . 0.0 110.935 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.573 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 1.1 tp10 -80.76 118.28 22.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.07 161.65 28.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.573 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 2.2 m-85 -135.86 138.35 42.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.032 HD23 HG23 ' A' ' 81' ' ' THR . 0.4 OUTLIER -72.1 153.07 41.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -78.71 -22.36 46.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.4 -52.36 65.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.44 -27.83 0.21 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 1.032 HG23 HD23 ' A' ' 77' ' ' LEU . 1.6 t -85.18 174.51 9.6 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.396 0.703 . . . . 0.0 110.352 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.477 ' C ' HD22 ' A' ' 77' ' ' LEU . 11.2 ptt180 -117.34 150.5 38.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.757 ' HB2' HD11 ' A' ' 77' ' ' LEU . 36.3 t-105 -105.8 -87.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.588 1.18 . . . . 0.0 108.04 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 138.0 -101.73 0.34 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.494 1.121 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.932 ' O ' HG22 ' A' ' 86' ' ' VAL . 1.9 m 86.91 -61.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 0.752 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.932 HG22 ' O ' ' A' ' 85' ' ' THR . 0.8 OUTLIER 79.36 -18.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.219 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.467 ' H ' ' C ' ' A' ' 85' ' ' THR . 0.6 OUTLIER -141.97 104.3 4.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.607 1.192 . . . . 0.0 109.373 179.859 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 39.4 t -89.29 48.58 1.63 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.455 1.097 . . . . 0.0 108.273 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.6 t -91.85 -15.34 28.33 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.8 m -88.08 -53.16 4.86 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.598 1.186 . . . . 0.0 110.411 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -90.86 134.65 34.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -68.57 113.5 6.15 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.418 1.074 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.402 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -86.94 123.05 31.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 108.316 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.54 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 1.3 pt20 -104.98 122.48 45.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.631 ' O ' HG12 ' A' ' 108' ' ' VAL . 5.5 t -85.69 112.07 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.44 177.39 37.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.918 HD11 ' HG ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -106.62 126.02 51.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.364 179.898 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.3 p -86.47 155.24 20.61 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.482 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -79.04 159.92 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.0 109.262 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.62 11.29 15.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.391 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.14 -74.07 0.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.389 1.056 . . . . 0.0 109.344 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 159.63 47.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.415 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 15.6 m-80 -121.26 161.85 21.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.272 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.67 98.58 1.08 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 -163.34 0.18 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.452 1.764 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.2 137.03 32.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.349 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -130.59 160.32 23.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.586 1.179 . . . . 0.0 111.065 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 95' ' ' VAL . 10.8 p -94.93 117.69 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.563 0.802 . . . . 0.0 109.246 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.43 92.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.694 HG12 HG11 ' A' ' 69' ' ' VAL . 1.0 OUTLIER -75.11 161.66 4.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.58 1.175 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.003 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.601 ' C ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.972 -0.434 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.601 HG23 ' C ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 52.37 177.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.716 ' H ' HD23 ' A' ' 26' ' ' LEU . . . -44.86 132.77 6.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.398 1.061 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.466 HG22 ' CG2' ' A' ' 108' ' ' VAL . 1.1 p -150.74 144.98 25.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.993 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.4 t -82.86 127.67 39.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.524 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -38.47 -57.84 1.75 Allowed Pre-proline 0 C--N 1.328 -0.366 0 O-C-N 124.529 1.143 . . . . 0.0 110.439 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.993 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -75.03 -161.61 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.783 . . . . 0.0 110.981 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.647 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -141.79 -47.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -68.87 64.61 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.94 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.736 ' CA ' HD12 ' A' ' 110' ' ' ILE . . . -48.02 -20.42 1.32 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.893 ' O ' HD12 ' A' ' 13' ' ' LEU . 3.7 pp -65.93 66.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.391 0.701 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -140.76 123.22 15.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.158 179.954 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 14' ' ' SER . 5.8 p-10 -35.57 93.82 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.445 1.09 . . . . 0.0 109.229 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 42.44 68.83 0.68 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.653 1.22 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.501 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -74.47 123.07 24.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 0.773 . . . . 0.0 110.488 179.867 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -97.1 124.2 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.221 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.928 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -149.96 -169.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.889 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -104.25 141.86 35.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.339 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 6' ' ' THR . 59.3 t -118.0 91.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.06 131.54 37.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.529 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -128.55 102.68 0.58 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.39 115.12 24.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 0.812 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.66 34.96 29.95 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.422 1.077 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.716 HD23 ' H ' ' A' ' 5' ' ' ALA . 1.5 tm? -74.56 -99.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 109.143 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.597 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -83.78 10.94 8.29 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 74.56 -3.19 2.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.398 1.062 . . . . 0.0 109.265 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 124.83 -2.28 8.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.595 1.184 . . . . 0.0 111.011 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.617 HG22 ' H ' ' A' ' 31' ' ' ALA . 2.9 m -61.03 -154.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.42 0.718 . . . . 0.0 110.428 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.642 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -138.68 110.32 7.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.65 1.219 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.597 ' CE2' ' HG2' ' A' ' 27' ' ' GLN . 2.8 m-30 -119.87 -172.81 2.41 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.5 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 94.8 m-20 -111.17 114.58 27.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.839 HG21 HG21 ' A' ' 65' ' ' THR . 1.3 t -76.72 137.71 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.407 1.067 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.62 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 177.91 153.39 11.11 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.423 1.077 . . . . 0.0 111.067 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.09 95.66 9.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 0.0 110.384 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 6.2 t -105.0 156.88 17.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 108.31 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.53 ' HB2' ' H ' ' A' ' 94' ' ' GLN . . . 176.26 163.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 41.4 p-90 -71.18 117.41 12.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 108.025 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' A' ' 46' ' ' ALA . 4.4 p -102.54 -48.69 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.203 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.7 ' HB2' HD21 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -85.31 -160.21 0.49 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.571 1.169 . . . . 0.0 109.31 -179.9 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.9 m -66.52 80.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.05 10.36 56.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.697 ' CG1' HD22 ' A' ' 77' ' ' LEU . 9.7 t -84.57 111.99 21.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.738 . . . . 0.0 109.379 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mt -67.45 107.73 2.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.258 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.71 ' HB2' HD23 ' A' ' 77' ' ' LEU . . . -121.83 143.38 49.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.0 m -109.21 152.03 25.72 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.479 1.112 . . . . 0.0 108.303 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.546 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -77.91 171.94 11.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.231 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.601 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.03 -12.3 21.45 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 110.949 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.28 18.29 21.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.62 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 3.0 t70 -88.34 5.07 43.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -107.89 95.08 5.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.584 1.177 . . . . 0.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.419 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 13.6 t -146.62 80.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.971 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 99.6 p -46.42 134.13 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.185 . . . . 0.0 110.049 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.811 HG21 ' HB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -159.56 164.94 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 O-C-N 124.448 1.093 . . . . 0.0 109.379 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.642 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -132.65 158.2 42.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.337 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.451 ' O ' ' HA2' ' A' ' 29' ' ' GLY . . . -102.05 151.84 21.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.632 ' O ' ' N ' ' A' ' 61' ' ' GLY . 1.3 m-20 -68.61 162.81 25.1 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.637 1.211 . . . . 0.0 109.216 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.1 -40.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.391 1.057 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -87.24 38.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.53 43.67 3.92 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 74.9 m -105.28 100.64 10.22 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.496 0.762 . . . . 0.0 110.024 179.884 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -99.65 97.61 8.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.4 p -105.77 76.83 1.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.839 HG21 HG21 ' A' ' 34' ' ' VAL . 8.1 t -109.45 139.53 44.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.426 1.079 . . . . 0.0 110.367 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.0 p -89.7 134.03 34.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.731 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -144.04 165.99 26.23 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 109.214 -179.867 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.81 HG23 ' HG2' ' A' ' 70' ' ' ARG . 13.5 t -105.84 144.33 32.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.397 1.061 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.503 HG11 ' CA ' ' A' ' 12' ' ' GLY . 93.5 t -89.82 85.28 2.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 O-C-N 124.475 1.11 . . . . 0.0 109.162 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.81 ' HG2' HG23 ' A' ' 68' ' ' THR . 0.9 OUTLIER -88.01 75.51 8.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.677 1.236 . . . . 0.0 110.336 179.909 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.515 ' CG ' ' CB ' ' A' ' 88' ' ' CYS . 16.6 ttp85 -53.37 -31.0 42.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.334 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.667 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 86.9 p -106.63 129.68 54.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.597 1.186 . . . . 0.0 109.999 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.667 ' CD1' ' O ' ' A' ' 72' ' ' SER . 0.5 OUTLIER 158.92 126.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.382 1.051 . . . . 0.0 110.975 179.857 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.9 ' HA ' HG23 ' A' ' 86' ' ' VAL . 0.7 OUTLIER -75.3 113.05 12.22 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -103.9 -148.25 18.83 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.426 1.079 . . . . 0.0 110.97 -179.877 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 7.7 m-85 -126.95 151.11 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.792 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.71 HD23 ' HB2' ' A' ' 46' ' ' ALA . 1.8 mt -90.29 171.31 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.587 ' CD1' HG13 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -57.51 -29.19 64.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.563 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 7.8 t70 -73.28 -62.66 1.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.429 ' O ' ' CD2' ' A' ' 76' ' ' PHE . . . 166.48 -28.61 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.426 1.079 . . . . 0.0 111.0 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 76' ' ' PHE . 84.2 m -39.58 154.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 0.772 . . . . 0.0 110.332 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.53 72.28 3.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.066 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.687 ' O ' ' N ' ' A' ' 75' ' ' GLY . 1.9 t90 -112.2 -83.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.66 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 53.06 139.61 0.0 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.425 1.078 . . . . 0.0 110.944 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.639 ' C ' ' O ' ' A' ' 84' ' ' GLY . 1.3 m 14.27 -81.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 0.749 . . . . 0.0 110.444 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.9 HG23 ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER 78.5 -53.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 124.452 1.095 . . . . 0.0 109.234 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.545 ' N ' HG12 ' A' ' 86' ' ' VAL . 7.0 t0 -151.43 87.22 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.515 ' CB ' ' CG ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -71.64 57.96 0.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 108.25 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.0 m -93.61 -4.61 50.46 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.453 1.096 . . . . 0.0 110.417 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.1 m -149.75 -44.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.447 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.74 133.34 39.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 109.36 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.29 126.71 32.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.36 125.65 36.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.53 ' H ' ' HB2' ' A' ' 38' ' ' ALA . 35.4 mt-30 -98.05 116.46 30.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 3.4 t -88.95 114.89 27.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.336 1.023 . . . . 0.0 109.259 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.85 170.98 39.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.701 HD21 ' HB2' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -105.48 122.0 45.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.348 0.675 . . . . 0.0 109.356 179.938 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.9 p -93.25 163.54 13.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 110.038 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -75.56 159.39 31.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.585 1.178 . . . . 0.0 109.376 179.896 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.15 9.75 14.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.39 -79.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 174.77 45.89 0.05 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -134.61 156.73 48.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 0.732 . . . . 0.0 109.375 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -126.04 111.2 1.4 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.397 1.061 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.83 -165.33 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.47 1.773 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.81 138.03 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -119.76 169.63 13.88 Favored Glycine 0 CA--C 1.528 0.883 0 O-C-N 124.489 1.118 . . . . 0.0 111.078 179.892 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.636 HG11 HG23 ' A' ' 7' ' ' VAL . 5.4 p -103.97 114.6 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.562 0.801 . . . . 0.0 109.237 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.64 91.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.345 1.028 . . . . 0.0 109.326 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.736 HD12 ' CA ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -96.65 127.37 48.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.203 -179.907 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.801 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.552 ' C ' HG23 ' A' ' 4' ' ' THR . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.552 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.4 p 60.44 -158.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 110.38 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.864 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . . . -66.57 119.31 11.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -141.5 144.82 34.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.779 HG12 ' HD2' ' A' ' 9' ' ' PRO . 1.7 t -83.53 137.91 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.182 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.45 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.62 -54.08 1.3 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.541 179.872 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.779 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.12 -157.14 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.473 1.776 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.421 ' N ' HD11 ' A' ' 110' ' ' ILE . 60.7 p -145.56 -67.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 -179.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.82 -179.55 5.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.058 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.32 52.84 49.18 Favored Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.961 HD12 HG11 ' A' ' 69' ' ' VAL . 28.2 mt -90.41 -178.93 5.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 0.733 . . . . 0.0 109.23 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.5 t -126.53 148.58 49.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 109.925 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -56.5 80.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.546 1.154 . . . . 0.0 109.391 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 117.72 40.84 0.69 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.514 1.133 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.675 HG21 HD22 ' A' ' 13' ' ' LEU . 35.4 m -80.32 107.39 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 0.795 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -81.76 123.77 38.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.526 HG11 ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -151.41 178.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.87 137.62 38.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 6' ' ' THR . 21.4 t -115.8 100.36 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.227 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.09 128.9 37.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.421 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -115.49 97.77 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.55 115.89 28.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.431 0.724 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.72 17.16 62.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.045 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.864 ' CD1' ' HB2' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -84.53 -147.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 0.736 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.852 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 60.4 mm-40 -46.16 89.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.96 84.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.604 1.19 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 74.91 7.63 81.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.599 1.187 . . . . 0.0 111.053 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.485 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.13 -178.39 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.4 0.706 . . . . 0.0 110.346 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.7 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -139.56 113.5 8.73 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.653 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.5 m-30 -115.76 -171.27 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -109.06 109.27 20.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.083 ' CG2' HD22 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -73.92 137.17 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.62 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 175.2 159.41 21.27 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.499 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -96.03 93.41 6.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 0.752 . . . . 0.0 110.291 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.713 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 4.7 t -106.82 164.36 12.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 108.279 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 161.63 172.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.436 ' CD1' ' O ' ' A' ' 39' ' ' TRP . 19.4 p90 -66.82 102.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 108.04 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 41' ' ' ASP . 2.7 m -85.6 -53.4 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.527 ' N ' ' CG2' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -90.27 -165.14 1.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.909 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.5 m -76.37 94.65 3.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.379 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.59 14.34 72.26 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.627 1.204 . . . . 0.0 111.071 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.469 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 8.8 t -104.79 107.98 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.208 -179.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.82 110.03 13.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.61 1.194 . . . . 0.0 109.367 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.57 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . . . -126.75 166.46 17.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.173 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.4 m -127.25 144.87 50.96 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.463 1.102 . . . . 0.0 108.153 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.567 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 1.1 m120 -66.34 169.76 6.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.397 1.061 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.61 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.5 Cg_endo -74.92 -13.18 21.67 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.493 1.786 . . . . 0.0 111.102 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.37 15.88 25.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.097 . . . . 0.0 109.382 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.62 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -88.06 5.73 39.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.61 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -108.19 94.56 5.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 111.054 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.731 ' CB ' HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -148.57 84.25 1.48 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.883 -179.952 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.6 p -40.06 124.91 1.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.941 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.007 HG22 HG21 ' A' ' 65' ' ' THR . 2.2 t -138.46 156.06 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.7 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -139.44 143.55 37.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.429 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 1.066 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.85 142.54 36.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.622 1.201 . . . . 0.0 109.331 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.6 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -58.01 158.8 6.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.37 -30.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 58' ' ' ASP . 1.7 t-20 -88.64 35.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.181 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.62 42.34 3.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.102 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 3.4 m -106.71 97.87 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.958 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 1.066 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.43 88.16 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.369 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.4 p -97.48 75.2 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.076 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 1.007 HG21 HG22 ' A' ' 55' ' ' VAL . 28.2 m -108.56 140.01 42.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.397 1.061 . . . . 0.0 110.502 179.907 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.0 p -100.76 137.6 38.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.069 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.78 HD12 ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -150.09 174.19 13.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.408 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.514 HG23 ' HG2' ' A' ' 70' ' ' ARG . 14.6 t -105.95 134.21 49.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.961 HG11 HD12 ' A' ' 13' ' ' LEU . 35.1 t -88.15 92.54 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.514 ' HG2' HG23 ' A' ' 68' ' ' THR . 3.1 mmt180 -87.81 95.4 10.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 110.335 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.512 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 2.6 ttm180 -64.72 -36.69 85.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -101.26 122.43 43.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.042 179.928 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.529 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 168.73 135.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 83' ' ' TRP . 26.0 tt0 -91.06 108.35 19.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.635 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -97.75 -144.9 17.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.424 1.078 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.496 ' HA ' ' O ' ' A' ' 81' ' ' THR . 9.2 m-85 -135.68 144.19 45.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.611 HD11 ' CB ' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -93.11 -176.81 4.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -76.0 -23.8 55.25 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.595 1.184 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.88 -34.36 77.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.29 11.98 7.8 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.32 1.013 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' A' ' 76' ' ' PHE . 1.1 m -89.05 157.61 18.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 110.525 179.855 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 5.6 ptp180 -94.58 74.71 3.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.635 ' O ' ' N ' ' A' ' 75' ' ' GLY . 8.6 t-105 -112.35 -84.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 108.097 179.908 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.713 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 56.47 85.95 0.03 OUTLIER Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.542 1.151 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.779 ' C ' HG23 ' A' ' 86' ' ' VAL . 90.0 m 50.93 -74.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.599 0.823 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.779 HG23 ' C ' ' A' ' 85' ' ' THR . 2.8 t 87.14 -43.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 89' ' ' THR . 7.9 t0 -155.1 82.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.528 ' SG ' HG21 ' A' ' 85' ' ' THR . 0.1 OUTLIER -68.39 63.12 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 108.261 -179.91 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 87' ' ' ASP . 12.8 t -92.73 -8.29 44.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.432 1.082 . . . . 0.0 110.392 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.7 m -149.84 -45.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.07 143.29 48.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.11 114.07 26.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 0.0 109.215 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.18 128.16 37.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 108.344 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.426 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 35.6 mt-30 -97.49 116.72 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.238 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.63 ' CG2' HG22 ' A' ' 110' ' ' ILE . 2.5 t -88.98 112.56 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.571 1.169 . . . . 0.0 109.24 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.529 ' C ' HD23 ' A' ' 97' ' ' LEU . . . -163.85 175.88 39.96 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.6 1.187 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.083 HD22 ' CG2' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -106.12 134.72 48.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 83.5 p -106.43 145.22 32.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.929 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.592 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -50.62 163.09 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.639 1.212 . . . . 0.0 109.403 179.942 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.63 -4.52 34.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.638 1.212 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.2 -21.03 19.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.908 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.4 47.74 2.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.426 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 16.5 m-80 -147.58 160.44 42.64 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.509 0.77 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.09 105.49 3.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 111.042 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 52.12 3.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.448 1.762 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.75 132.93 35.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.348 179.905 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 151.25 142.42 3.52 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 110' ' ' ILE . 2.4 p -105.14 128.29 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.382 0.695 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.64 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.388 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.732 HG21 HG21 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -114.29 162.79 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 4.1 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.391 1.057 . . . . 0.0 109.948 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 4' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.045 -0.406 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.472 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 0.5 OUTLIER 43.63 -168.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 110.4 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.716 ' HB2' HD21 ' A' ' 97' ' ' LEU . . . -65.37 116.23 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.907 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -141.69 145.38 34.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 110.385 -179.935 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.775 HG13 HG21 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -88.16 122.72 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.929 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.779 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -37.46 -70.06 0.16 Allowed Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 124.483 1.114 . . . . 0.0 110.455 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.779 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.1 -152.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.601 1.843 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.513 ' O ' ' O ' ' A' ' 11' ' ' SER . 12.3 p -103.16 -32.02 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.963 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.65 ' HB3' HG11 ' A' ' 69' ' ' VAL . 0.5 OUTLIER 46.08 -179.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 109.947 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.67 -41.09 3.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -63.29 -20.12 65.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.428 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.544 ' HB3' ' OG1' ' A' ' 17' ' ' THR . 25.3 t -139.54 98.1 3.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 110.06 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.42 ' CG ' ' OG ' ' A' ' 72' ' ' SER . 4.3 p30 -54.92 102.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 109.326 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.467 ' HA2' ' CD ' ' A' ' 70' ' ' ARG . . . 122.44 21.19 2.79 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.585 1.178 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.544 ' OG1' ' HB3' ' A' ' 14' ' ' SER . 88.3 m -80.9 108.26 14.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.574 0.808 . . . . 0.0 110.414 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.78 118.65 22.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 109.286 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.775 HG21 HG13 ' A' ' 7' ' ' VAL . 1.3 m -138.72 -178.14 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.431 1.082 . . . . 0.0 109.215 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -113.71 128.83 56.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.344 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.555 HG22 HG23 ' A' ' 7' ' ' VAL . 46.5 t -103.79 100.2 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.21 119.64 29.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.472 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -110.31 81.4 0.29 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.47 1.106 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.16 123.85 28.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.436 0.727 . . . . 0.0 109.254 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 50.53 45.19 46.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.4 1.062 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.825 HD12 HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -87.88 -87.55 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.595 ' NE2' ' CD2' ' A' ' 32' ' ' TYR . 33.6 mm-40 -83.02 8.33 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 75.86 -10.48 1.27 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.445 1.09 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.682 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 129.56 -2.6 6.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.569 HG22 ' H ' ' A' ' 31' ' ' ALA . 2.1 m -57.8 -155.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.627 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -135.49 108.93 7.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.61 ' HB2' HD12 ' A' ' 97' ' ' LEU . 4.8 m-85 -120.46 164.1 16.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.558 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -88.87 112.97 23.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.416 1.073 . . . . 0.0 109.252 -179.916 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.904 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -79.19 140.34 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.424 1.078 . . . . 0.0 109.255 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.601 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 164.72 161.63 14.11 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.556 1.16 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.602 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.26 102.18 14.45 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.571 0.806 . . . . 0.0 110.37 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 4.7 t -108.15 154.61 21.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 108.357 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.604 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -178.62 168.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.214 -179.896 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.454 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 48.4 p90 -77.21 111.13 12.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 107.964 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.744 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -97.28 -47.58 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.604 ' OD1' ' CH2' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -87.53 -172.11 3.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.214 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.5 m -55.25 89.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 110.409 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 56.0 20.83 28.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.156 . . . . 0.0 111.079 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 42' ' ' THR . 50.7 t -96.62 115.53 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.284 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.0 107.04 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.382 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.549 ' HB2' HD13 ' A' ' 77' ' ' LEU . . . -120.47 134.59 55.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.216 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 19.5 m -95.98 157.65 15.8 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.428 1.08 . . . . 0.0 108.248 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.509 ' CB ' ' NE2' ' A' ' 36' ' ' GLN . 1.3 m-80 -83.86 167.81 25.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.178 -179.873 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.653 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.0 Cg_endo -75.0 -16.15 20.35 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.443 1.76 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.37 12.17 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.358 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.621 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -93.97 15.05 17.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.193 -179.889 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.653 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.9 m-85 -108.63 93.98 4.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.612 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -149.46 81.86 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.982 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.4 p -55.43 124.61 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.752 HG21 ' HB ' ' A' ' 65' ' ' THR . 4.2 p -148.68 158.75 6.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.368 1.043 . . . . 0.0 109.363 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.627 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -123.95 161.57 25.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 179.89 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.798 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -103.87 148.89 25.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.634 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.9 OUTLIER -63.83 161.85 14.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.347 1.029 . . . . 0.0 109.321 179.941 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.92 -35.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -88.56 37.23 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.634 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.35 41.01 2.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 57.3 m -107.34 96.32 6.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.798 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -104.62 90.78 3.61 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.364 1.04 . . . . 0.0 109.209 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.4 p -95.37 83.78 3.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.427 1.079 . . . . 0.0 110.005 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.878 HG21 HG21 ' A' ' 34' ' ' VAL . 14.7 t -108.46 133.93 51.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.639 1.212 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.9 p -101.01 139.51 36.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.948 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.542 HD11 ' CB ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -156.24 176.95 12.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.21 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 t -105.07 133.62 49.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.65 HG11 ' HB3' ' A' ' 11' ' ' SER . 80.3 t -90.07 85.75 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.229 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.467 ' CD ' ' HA2' ' A' ' 16' ' ' GLY . 11.9 mmt180 -93.79 78.57 4.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 110.218 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -48.65 -37.85 19.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.411 1.069 . . . . 0.0 110.345 179.797 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 78.5 p -86.33 130.12 34.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.085 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.536 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 162.14 171.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.641 1.213 . . . . 0.0 111.0 -179.931 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.604 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 7.8 tt0 -80.79 114.16 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.07 168.16 38.67 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.604 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 4.6 m-85 -141.05 129.95 23.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 0.715 . . . . 0.0 110.948 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.024 HD23 HG23 ' A' ' 81' ' ' THR . 0.9 OUTLIER -61.19 156.74 17.68 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.91 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.416 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 3.2 t80 -82.48 -20.11 37.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.621 1.201 . . . . 0.0 110.966 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.34 -51.89 66.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.54 -27.05 0.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 1.024 HG23 HD23 ' A' ' 77' ' ' LEU . 2.3 t -84.6 161.37 20.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 0.801 . . . . 0.0 110.428 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -103.94 150.7 23.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 110.222 -179.917 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.744 ' CD1' HG13 ' A' ' 40' ' ' VAL . 56.9 t-105 -106.14 -87.22 0.47 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.506 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 134.69 -83.64 0.28 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.82 HG22 ' H ' ' A' ' 87' ' ' ASP . 2.4 m 68.14 -60.53 0.41 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.768 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 85' ' ' THR . 16.3 t 78.18 -18.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.82 ' H ' HG22 ' A' ' 85' ' ' THR . 0.5 OUTLIER -139.73 99.7 3.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 93' ' ' CYS . 43.0 t -91.14 40.4 1.03 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.511 1.132 . . . . 0.0 108.199 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.3 t -88.59 -12.87 41.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.375 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.8 m -89.13 -50.06 6.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.458 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.454 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -91.34 135.55 33.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.9 110.2 3.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.604 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -89.06 124.21 34.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 108.35 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 4.2 pt20 -104.79 121.96 44.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.602 HG22 ' HB3' ' A' ' 36' ' ' GLN . 1.5 t -89.18 113.06 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -162.38 175.18 38.85 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.411 1.069 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.904 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -106.8 125.91 51.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.378 0.693 . . . . 0.0 109.262 -179.936 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.508 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 29.0 t -104.35 168.33 9.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.163 . . . . 0.0 109.951 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.536 ' OD1' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -100.08 161.35 13.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.399 179.921 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.05 20.28 4.39 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.658 1.224 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.84 -36.83 6.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.379 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.81 53.4 0.81 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.592 1.183 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 105' ' ' PRO . 7.2 m120 -115.12 136.87 52.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.368 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -32.3 93.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.598 1.186 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.496 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 18.2 Cg_endo -74.98 133.03 16.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.09 147.69 23.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.283 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -157.62 165.0 33.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.072 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.717 HG13 HD13 ' A' ' 110' ' ' ILE . 7.5 p -95.99 127.01 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 109.419 179.847 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.42 91.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.597 1.185 . . . . 0.0 109.213 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.717 HD13 HG13 ' A' ' 108' ' ' VAL . 0.8 OUTLIER -75.01 154.42 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.373 179.886 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.496 ' O ' ' O ' ' A' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.402 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.84 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.456 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.0 OUTLIER 43.84 -166.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 110.368 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.647 ' CB ' HD11 ' A' ' 97' ' ' LEU . . . -70.46 119.64 14.92 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.45 145.83 37.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 -179.853 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.829 HG11 HD12 ' A' ' 110' ' ' ILE . 3.2 t -88.88 112.01 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 109.336 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.691 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -49.48 -66.3 0.64 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 -179.933 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.691 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.99 59.72 5.26 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.552 1.817 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 111' ' ' SER . 11.1 p -89.53 28.32 1.31 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.379 1.049 . . . . 0.0 109.973 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 12' ' ' GLY . 26.2 t -114.63 133.6 55.71 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.59 1.181 . . . . 0.0 109.925 -179.874 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 11' ' ' SER . . . 32.78 53.82 0.49 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.663 HD13 HG12 ' A' ' 69' ' ' VAL . 0.9 OUTLIER -44.74 161.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 109.257 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.536 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -128.87 147.82 50.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 110.102 179.933 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.441 ' OD2' ' NH2' ' A' ' 71' ' ' ARG . 5.0 m-20 -50.79 89.72 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.632 1.208 . . . . 0.0 109.228 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.622 ' HA2' HG22 ' A' ' 68' ' ' THR . . . 91.84 50.71 2.62 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.597 HG22 ' CG1' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -90.93 125.66 35.83 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.574 0.809 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.428 ' H ' HG23 ' A' ' 18' ' ' VAL . 1.5 t -73.23 104.2 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.825 ' HB ' HG13 ' A' ' 7' ' ' VAL . 3.8 m -111.93 169.06 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.605 1.191 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.26 115.9 25.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.515 ' CG1' ' HB1' ' A' ' 5' ' ' ALA . 27.3 t -89.87 94.28 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -88.66 117.83 27.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.322 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.456 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -99.81 113.99 4.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.448 1.093 . . . . 0.0 111.066 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 3' ' ' PRO . . . -102.88 103.4 13.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 0.816 . . . . 0.0 109.237 -179.895 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.3 34.23 89.36 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.888 HD21 HD21 ' A' ' 97' ' ' LEU . 7.7 tp -77.29 -110.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 0.786 . . . . 0.0 109.266 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.823 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -45.05 -24.61 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.472 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 63.88 24.53 13.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.907 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 119.1 -10.36 11.89 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.617 1.198 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.464 ' CA ' ' HB3' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -84.14 -161.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 0.804 . . . . 0.0 110.3 -179.901 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.594 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -148.34 153.31 38.44 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.604 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 12.9 m-85 -150.74 -169.99 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.497 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -108.46 107.22 17.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.156 -179.955 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.575 HG23 HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -76.04 141.25 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.226 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.613 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 175.36 156.05 13.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.922 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.548 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.13 95.03 9.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.315 -179.914 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 4.6 t -105.43 156.9 17.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 108.266 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 175.1 163.84 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.37 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.6 p90 -71.85 116.39 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 108.079 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.458 HG12 ' HB3' ' A' ' 46' ' ' ALA . 8.5 p -100.31 -49.1 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.525 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -82.4 -159.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.919 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.4 m -79.01 88.2 4.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.39 23.02 75.07 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.793 ' CG1' HD22 ' A' ' 77' ' ' LEU . 4.0 t -106.21 111.3 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.784 . . . . 0.0 109.276 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mt -71.87 109.77 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.835 ' HB2' HD23 ' A' ' 77' ' ' LEU . . . -124.65 144.92 49.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.5 m -110.51 151.59 27.39 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.443 1.089 . . . . 0.0 108.307 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.508 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -77.49 171.22 13.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.617 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.9 -12.46 21.74 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.554 1.818 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.6 16.18 25.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.613 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.7 t70 -87.36 6.66 32.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.617 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -108.57 94.89 5.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 -179.946 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.713 ' CB ' HD21 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -150.97 84.14 1.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 p -40.69 131.07 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 0.0 109.959 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.575 HG11 HG23 ' A' ' 34' ' ' VAL . 12.1 p -127.04 162.22 32.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.78 134.58 22.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 1.032 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.39 135.65 47.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.339 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -60.44 161.41 7.47 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.615 1.197 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.22 -35.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -88.19 37.03 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.19 36.94 2.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -94.97 92.72 7.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 0.796 . . . . 0.0 109.954 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 1.032 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.88 78.3 1.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.0 p -94.91 75.9 3.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.613 1.196 . . . . 0.0 110.095 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.471 ' CB ' HG23 ' A' ' 55' ' ' VAL . 1.8 m -109.24 131.0 55.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.48 ' O ' HD12 ' A' ' 67' ' ' LEU . 39.9 p -95.3 142.88 27.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.388 1.055 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.713 HD21 ' CB ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -146.32 179.92 7.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.622 HG22 ' HA2' ' A' ' 16' ' ' GLY . 34.2 m -104.63 129.24 52.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.328 1.018 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.663 HG12 HD13 ' A' ' 13' ' ' LEU . 9.9 t -88.1 90.38 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.356 1.035 . . . . 0.0 109.392 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.45 ' HD2' ' CE2' ' A' ' 73' ' ' PHE . 10.2 mmt180 -89.3 118.38 28.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.585 ' HB2' HD11 ' A' ' 13' ' ' LEU . 9.9 ttp180 -87.25 -32.59 19.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 83.2 p -103.42 121.0 41.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.896 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.472 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 165.49 128.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.891 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.814 ' HA ' HG23 ' A' ' 86' ' ' VAL . 0.8 OUTLIER -74.76 115.09 13.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.626 1.204 . . . . 0.0 110.244 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.714 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -100.38 -153.49 26.95 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.492 ' CZ ' ' HG3' ' A' ' 82' ' ' ARG . 70.3 m-85 -127.5 146.27 50.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.353 0.678 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.89 HD12 HG23 ' A' ' 81' ' ' THR . 5.2 mt -88.64 179.93 6.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.608 1.192 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -71.76 -22.63 61.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.77 -62.39 1.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.42 -24.72 0.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.89 HG23 HD12 ' A' ' 77' ' ' LEU . 2.1 t -52.01 155.81 1.74 Allowed 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.417 0.716 . . . . 0.0 110.424 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.492 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 2.0 ttt180 -95.42 78.6 3.41 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.502 1.126 . . . . 0.0 110.363 179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.714 ' O ' ' N ' ' A' ' 75' ' ' GLY . 4.0 t-105 -114.06 -84.81 0.6 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.655 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 51.19 144.21 0.0 OUTLIER Glycine 0 CA--C 1.532 1.126 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.655 ' C ' ' O ' ' A' ' 84' ' ' GLY . 1.3 m 12.25 -83.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.592 0.819 . . . . 0.0 110.431 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.814 HG23 ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER 81.74 -50.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.193 . . . . 0.0 109.31 -179.926 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 89' ' ' THR . 8.4 t0 -151.49 80.79 1.29 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.366 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -69.66 60.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 108.39 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 87' ' ' ASP . 7.5 t -94.57 -5.99 44.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.5 m -150.98 -44.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.52 138.33 58.35 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.418 1.073 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.36 117.91 24.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.979 ' O ' HG22 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -90.93 129.06 36.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.392 1.057 . . . . 0.0 108.245 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.501 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 25.2 mt-30 -101.17 115.68 31.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.916 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.4 t -87.61 105.71 15.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.372 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -154.29 176.02 32.28 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.888 HD21 HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -106.22 147.53 28.98 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.499 0.764 . . . . 0.0 109.254 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.14 143.13 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.13 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.576 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -81.82 159.66 23.71 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 0.0 109.202 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.85 -12.38 59.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.381 1.051 . . . . 0.0 109.198 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.48 -13.15 32.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.96 47.03 40.79 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.454 1.097 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 105' ' ' PRO . 85.9 m-20 -104.92 147.17 28.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 0.743 . . . . 0.0 109.198 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -35.58 96.63 0.01 OUTLIER Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.0 Cg_endo -75.1 150.13 37.29 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.341 1.706 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.3 107.16 18.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -103.22 151.25 17.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.916 HG12 ' O ' ' A' ' 95' ' ' VAL . 9.0 p -101.38 116.67 45.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.78 92.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.979 HG22 ' O ' ' A' ' 93' ' ' CYS . 3.8 tt -71.34 148.38 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 10' ' ' SER . 9.3 m . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.452 ' C ' HG23 ' A' ' 4' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.938 0 N-CA-C 110.943 -0.445 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.739 ' HB ' HD23 ' A' ' 26' ' ' LEU . 2.0 p 57.47 -166.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.55 1.157 . . . . 0.0 110.34 179.829 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 97' ' ' LEU . . . -53.06 120.26 5.68 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.605 1.191 . . . . 0.0 109.337 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.472 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -143.89 144.28 31.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 0.0 110.412 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.915 HG23 HG22 ' A' ' 21' ' ' VAL . 2.9 p -107.58 137.17 40.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.597 1.185 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.575 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -32.08 -60.17 0.35 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 110.331 -179.875 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.151 ' CD ' HG21 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.01 148.64 35.51 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 p -128.95 -53.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 110.032 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 t -125.36 163.8 21.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.18 35.16 68.92 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.546 1.154 . . . . 0.0 111.071 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.807 HD23 HG23 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -66.75 173.36 3.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.748 . . . . 0.0 109.374 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.599 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -124.65 139.06 54.21 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.536 1.148 . . . . 0.0 109.93 -179.865 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.36 78.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.593 1.183 . . . . 0.0 109.43 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 124.64 38.46 0.51 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.3 m -88.26 103.36 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 0.711 . . . . 0.0 110.375 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.6 p -89.73 129.56 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.151 HG21 ' CD ' ' A' ' 9' ' ' PRO . 12.2 m -152.8 -159.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -112.15 140.14 47.09 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.381 1.051 . . . . 0.0 109.348 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.915 HG22 HG23 ' A' ' 7' ' ' VAL . 25.6 t -111.93 96.33 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.217 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.16 123.74 34.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.433 ' CA ' ' HA ' ' A' ' 5' ' ' ALA . . . -120.02 92.78 0.53 Allowed Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.39 111.98 23.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 0.738 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.99 12.49 20.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.739 HD23 ' HB ' ' A' ' 4' ' ' THR . 0.2 OUTLIER -98.17 -143.45 0.31 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 0.0 109.252 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.849 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.6 mm100 -40.84 89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -61.32 82.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 77.05 11.48 85.53 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.656 1.222 . . . . 0.0 111.101 -179.891 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.516 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -90.47 -175.65 4.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.611 0.83 . . . . 0.0 110.373 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.608 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -135.8 107.84 7.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 0.0 109.372 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.625 ' CE2' ' CD ' ' A' ' 27' ' ' GLN . 3.8 m-30 -117.39 -169.26 1.63 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -121.35 118.53 29.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.621 HG21 ' CG2' ' A' ' 65' ' ' THR . 1.9 t -78.61 140.12 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.598 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 176.32 156.67 15.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.727 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -93.79 104.41 16.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 0.787 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 t -106.34 147.48 29.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.413 1.071 . . . . 0.0 108.266 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.842 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -168.04 156.76 9.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.7 p-90 -68.79 104.95 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.951 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -88.32 -45.31 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.467 ' CB ' ' HB ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -90.12 -162.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.394 1.059 . . . . 0.0 109.401 179.917 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -66.46 79.83 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.56 24.58 75.22 Favored Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.404 1.065 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 86.3 t -101.56 106.81 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.631 0.842 . . . . 0.0 109.283 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 mt -58.4 96.73 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.951 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -104.1 135.85 44.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.165 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.0 m -108.54 149.37 28.94 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 108.193 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.564 ' OD1' ' CG ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -85.63 174.3 5.84 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.558 1.161 . . . . 0.0 109.225 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.632 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.11 -14.23 20.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.26 8.66 44.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.598 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -89.26 11.53 18.63 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.632 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.7 m-85 -106.64 96.63 6.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.497 ' OG ' HD23 ' A' ' 67' ' ' LEU . 33.1 t -138.83 70.71 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.008 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.93 118.28 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.819 HG21 ' HB ' ' A' ' 65' ' ' THR . 1.2 p -152.73 165.13 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.608 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -123.89 154.37 39.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.99 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.56 148.49 28.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -64.18 159.59 20.26 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.508 1.13 . . . . 0.0 109.185 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.04 -30.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.244 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.4 t-20 -89.23 35.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.596 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.14 42.76 4.3 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 14.9 m -109.31 97.81 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.353 0.678 . . . . 0.0 109.993 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.99 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.24 102.23 11.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.367 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.5 p -104.53 81.21 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.019 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.819 ' HB ' HG21 ' A' ' 55' ' ' VAL . 7.1 t -108.29 135.05 50.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 79.3 p -91.53 142.88 27.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.944 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.497 HD23 ' OG ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -152.08 177.1 10.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.886 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 42.1 m -106.9 124.98 50.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 110.464 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.474 HG13 HG21 ' A' ' 110' ' ' ILE . 82.5 t -87.83 85.82 2.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.126 . . . . 0.0 109.236 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.691 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 57.8 mtt-85 -100.32 75.75 1.82 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.498 1.124 . . . . 0.0 110.169 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' ARG . 7.3 ttm180 -36.17 -31.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.89 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 2.9 m -93.11 117.4 30.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.033 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.691 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -165.93 165.7 17.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 111.049 -179.92 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.55 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 2.0 tp10 -90.97 90.56 7.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -54.07 162.11 3.71 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.496 1.123 . . . . 0.0 111.069 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.663 ' CD2' ' CB ' ' A' ' 82' ' ' ARG . 60.2 m-85 -141.72 131.15 23.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.623 0.837 . . . . 0.0 111.023 -179.828 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.046 HD13 HG23 ' A' ' 81' ' ' THR . 3.6 mp -66.33 142.15 57.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.375 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -65.29 -22.98 66.91 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -55.5 33.24 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 179.902 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.43 -28.75 0.22 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.494 1.121 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 1.046 HG23 HD13 ' A' ' 77' ' ' LEU . 3.5 t -81.94 161.71 22.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 110.355 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.663 ' CB ' ' CD2' ' A' ' 76' ' ' PHE . 22.1 ptt180 -104.75 145.01 30.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.411 179.903 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.601 ' CD1' HG13 ' A' ' 40' ' ' VAL . 32.3 t-105 -106.6 -86.33 0.49 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.622 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 140.57 -98.85 0.24 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.61 1.194 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.622 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 61.2 m 84.81 -49.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.612 0.831 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.568 HG12 ' N ' ' A' ' 87' ' ' ASP . 96.0 t 71.22 -103.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.568 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -61.59 105.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -89.03 79.07 7.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 108.353 179.939 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.7 t -106.85 -32.43 7.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 110.433 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.3 m -89.11 -58.44 2.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.473 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -70.87 103.24 2.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.424 1.078 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.03 102.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.405 1.066 . . . . 0.0 109.267 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.842 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 5.0 m -83.92 126.78 33.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 108.355 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.544 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 27.6 mt-30 -105.56 117.18 33.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.727 HG22 ' HB3' ' A' ' 36' ' ' GLN . 1.5 t -87.0 119.84 35.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.426 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -164.35 174.4 40.41 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.586 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -96.63 122.33 39.44 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.56 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 97.9 p -101.46 167.32 10.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.605 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -76.38 160.15 29.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.84 1.69 53.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.369 1.043 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.53 -73.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.22 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.38 40.43 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -128.03 148.43 50.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.77 . . . . 0.0 109.356 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.07 108.42 1.54 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.403 ' CD ' ' HA ' ' A' ' 98' ' ' SER . 18.4 Cg_endo -74.97 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.791 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.98 143.36 35.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -134.71 171.91 22.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.623 ' O ' HG13 ' A' ' 108' ' ' VAL . 3.4 p -95.0 105.1 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.558 0.799 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.02 81.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.245 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.807 HG23 HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -75.85 145.15 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.588 1.18 . . . . 0.0 109.246 -179.93 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.68 ' H ' HD13 ' A' ' 110' ' ' ILE . 2.4 p . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.044 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.828 0 N-CA-C 111.102 -0.384 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.457 ' HB ' HD22 ' A' ' 26' ' ' LEU . 29.2 p 41.83 -124.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.37 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.604 ' N ' HD23 ' A' ' 26' ' ' LEU . . . -90.45 119.52 30.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.219 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.828 ' C ' HG13 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -146.08 144.7 30.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.6 1.188 . . . . 0.0 110.366 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.946 HG12 ' CG2' ' A' ' 19' ' ' VAL . 1.4 t -76.7 142.42 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.463 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.34 -54.0 1.2 Allowed Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.611 1.194 . . . . 0.0 110.489 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.928 ' CD ' HG21 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.08 -164.25 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.485 ' O ' HD11 ' A' ' 13' ' ' LEU . 1.9 t -151.34 -61.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.984 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.547 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 43.7 t -133.78 162.15 32.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.621 1.2 . . . . 0.0 110.099 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.14 25.38 59.69 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 111.083 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.541 HD13 HG13 ' A' ' 110' ' ' ILE . 2.4 mp -77.25 175.65 9.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.43 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.4 t -132.56 159.39 39.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.052 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 7.1 t70 -65.94 60.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.593 1.183 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 158.59 32.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.1 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' VAL . 16.0 m -91.51 102.32 14.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 110.434 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 7.5 p -102.89 129.48 54.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.946 ' CG2' HG12 ' A' ' 7' ' ' VAL . 35.4 m -151.82 -156.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 3.2 pttm -114.98 133.65 55.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.908 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.828 HG13 ' C ' ' A' ' 6' ' ' THR . 22.4 t -107.09 114.08 45.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.84 135.56 33.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.379 1.049 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.541 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -107.96 79.75 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.18 92.82 3.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 0.75 . . . . 0.0 109.178 -179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.36 34.14 7.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.459 1.099 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.676 HD11 HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -85.39 -144.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.99 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.6 mp0 -66.37 79.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.303 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.412 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . . . -59.37 91.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.05 -18.74 56.67 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.397 1.061 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.515 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.8 -179.53 5.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 0.784 . . . . 0.0 110.353 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.51 ' HB1' ' OG1' ' A' ' 56' ' ' THR . . . -162.69 120.29 2.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.354 1.034 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE2' ' CD ' ' A' ' 27' ' ' GLN . 17.3 m-30 -118.32 -146.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.453 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 12.0 t70 -122.03 120.6 34.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.328 1.017 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.657 HG23 ' HB3' ' A' ' 97' ' ' LEU . 1.2 t -90.14 146.5 6.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.148 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.562 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 173.03 160.65 22.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.09 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.538 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 1.9 pt20 -93.18 100.56 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 0.809 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.3 t -106.69 148.92 27.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 108.338 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -176.86 164.54 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.535 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 2.1 m95 -68.63 118.29 11.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 108.038 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.904 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -105.38 -42.92 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.635 ' HB2' HD11 ' A' ' 77' ' ' LEU . 5.9 t0 -79.91 -156.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.612 1.195 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -90.77 72.13 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.405 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.69 5.3 61.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.656 HG12 HD22 ' A' ' 77' ' ' LEU . 2.3 t -101.22 124.07 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 0.724 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -72.26 119.36 16.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.049 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . . . -124.79 132.21 53.37 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 76' ' ' PHE . 56.3 m -95.86 156.95 16.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 108.261 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.586 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -84.33 162.84 50.02 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.912 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 73' ' ' PHE . 18.5 Cg_endo -75.04 -14.35 21.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.09 13.41 30.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.617 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.92 13.33 13.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.619 1.199 . . . . 0.0 109.269 -179.967 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -106.78 93.22 4.45 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.502 ' CB ' ' HG ' ' A' ' 67' ' ' LEU . 13.7 t -150.44 88.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.957 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' SER . 85.1 p -36.55 124.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 110.087 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.642 HG21 HG21 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -111.87 140.06 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.825 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.51 ' OG1' ' HB1' ' A' ' 31' ' ' ALA . 5.6 m -132.95 125.9 30.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.99 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -106.74 123.13 47.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.158 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -56.64 157.16 5.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.908 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.97 -26.2 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.612 1.195 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.443 ' N ' ' C ' ' A' ' 58' ' ' ASP . 43.2 t30 -87.92 32.14 0.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 0.0 109.38 179.86 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.52 43.76 6.36 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.411 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 19.9 m -114.57 98.61 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 0.768 . . . . 0.0 109.953 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.973 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.94 85.76 2.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.67 1.231 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.6 p -93.28 77.22 4.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.068 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.585 ' CB ' HG23 ' A' ' 55' ' ' VAL . 26.3 m -107.96 131.31 54.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 110.427 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 26.8 p -101.04 148.55 24.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.934 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.884 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -160.64 176.5 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.178 . . . . 0.0 109.351 179.925 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.884 ' H ' HD13 ' A' ' 67' ' ' LEU . 7.8 t -98.09 124.96 42.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.867 HG11 HG12 ' A' ' 110' ' ' ILE . 6.6 t -88.35 88.53 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.92 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -102.38 131.48 48.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HD2' ' CA ' ' A' ' 89' ' ' THR . 27.1 ttp85 -92.52 -41.22 10.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.24 -179.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.532 ' O ' ' CG ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -80.71 131.53 35.46 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 161.62 170.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.536 1.147 . . . . 0.0 110.915 180.0 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -83.93 131.54 34.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.16 157.05 38.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 111.082 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 6.0 m-85 -123.12 97.44 5.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.049 ' CD2' ' HB2' ' A' ' 46' ' ' ALA . 60.3 mt -79.04 173.42 12.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 109.226 -179.909 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -89.13 -33.43 17.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 111.057 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.8 -21.7 17.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.338 1.024 . . . . 0.0 109.22 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.564 ' O ' ' C ' ' A' ' 81' ' ' THR . . . -147.87 59.01 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.898 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.645 HG23 ' H ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -23.86 -92.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.622 0.836 . . . . 0.0 110.394 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.645 ' H ' HG23 ' A' ' 81' ' ' THR . 4.7 ttt180 -52.22 81.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.649 ' CD1' HG13 ' A' ' 40' ' ' VAL . 24.6 t-105 -83.56 -87.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 167.37 -129.86 1.99 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.548 1.155 . . . . 0.0 111.065 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.831 HG21 HG22 ' A' ' 40' ' ' VAL . 2.2 m 87.64 -76.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.614 0.832 . . . . 0.0 110.352 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.414 ' O ' ' HB2' ' A' ' 72' ' ' SER . 5.8 t 73.54 -7.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 85' ' ' THR . 1.1 t70 -145.53 105.27 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 39.6 t -91.0 41.46 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 108.301 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.469 ' CA ' ' HD2' ' A' ' 71' ' ' ARG . 9.9 t -86.22 -17.51 34.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.247 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.8 m -87.98 -52.85 5.04 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.563 1.164 . . . . 0.0 110.353 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.75 149.64 21.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 109.427 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.07 117.27 22.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.367 -179.915 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.405 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -84.04 122.97 29.52 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.461 1.101 . . . . 0.0 108.238 -179.941 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.538 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 8.6 mt-30 -100.81 117.85 35.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.233 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.781 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.3 t -87.15 109.84 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.379 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.56 -178.03 35.14 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.415 1.072 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.739 ' O ' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -106.25 149.01 27.28 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.1 m -105.18 130.79 53.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 103' ' ' ASN . 0.1 OUTLIER -66.0 161.32 21.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.197 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.58 0.84 55.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.48 ' HB3' ' ND2' ' A' ' 103' ' ' ASN . . . -104.31 -14.16 15.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.323 179.874 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.6 56.6 4.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.074 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.48 ' ND2' ' HB3' ' A' ' 101' ' ' ALA . 75.5 m-80 -117.88 144.71 45.19 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.641 0.848 . . . . 0.0 109.235 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.21 96.54 0.01 OUTLIER Glycine 0 CA--C 1.532 1.129 0 O-C-N 124.579 1.174 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.2 Cg_endo -75.03 153.62 41.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.66 1.874 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.79 108.49 19.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 0.0 110.342 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -111.07 155.12 16.3 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.781 HG12 ' O ' ' A' ' 95' ' ' VAL . 12.0 p -103.13 119.26 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 124.454 0.737 . . . . 0.0 109.441 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.28 90.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.838 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.867 HG12 HG11 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -71.06 116.74 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.348 179.932 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.547 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 110.111 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.437 ' O ' HG23 ' A' ' 6' ' ' THR . 18.0 Cg_endo . . . . . 0 N--CA 1.455 -0.768 0 N-CA-C 110.95 -0.442 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.429 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.5 p 52.62 -173.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.645 1.215 . . . . 0.0 110.387 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.432 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -53.38 115.52 1.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -132.78 146.05 51.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.474 179.965 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.512 HG13 ' HB ' ' A' ' 19' ' ' VAL . 2.3 t -98.19 113.54 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.369 1.043 . . . . 0.0 109.377 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.763 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -51.42 -69.75 0.29 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.389 -179.932 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.763 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.97 55.72 4.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.591 1.837 . . . . 0.0 111.072 179.936 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.4 ' HB3' HG12 ' A' ' 7' ' ' VAL . 5.7 p -87.85 16.58 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.055 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.3 p -114.11 137.4 51.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 13' ' ' LEU . . . 47.66 45.14 23.92 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.648 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -43.82 169.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 0.783 . . . . 0.0 109.238 -179.928 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -141.79 144.8 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.945 179.988 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -42.67 93.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 179.903 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 79.18 56.56 3.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.069 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.687 HG22 ' CG1' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -90.33 119.95 31.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 110.447 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' ' 18' ' ' VAL . 1.3 t -73.48 100.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.687 ' CG1' HG22 ' A' ' 17' ' ' THR . 5.2 m -106.97 177.63 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.087 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -117.16 115.69 25.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.407 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.5 t -89.53 91.43 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -88.71 109.36 20.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.382 1.051 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -110.06 132.88 11.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.565 1.165 . . . . 0.0 111.047 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.8 104.47 5.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 0.794 . . . . 0.0 109.392 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 92.41 32.83 7.94 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.515 1.135 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' ALA . 21.1 tp -99.98 -104.18 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.631 0.842 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.714 ' NE2' HD13 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -42.31 -23.94 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.523 1.14 . . . . 0.0 110.247 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . 67.53 21.28 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 106.45 -0.12 37.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 0.0 111.029 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -162.7 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 0.726 . . . . 0.0 110.289 -179.865 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.673 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -135.19 145.08 47.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.621 ' CE1' ' HA ' ' A' ' 99' ' ' ASP . 6.8 m-85 -152.43 -165.79 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -118.69 121.66 40.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.759 HG12 ' HB3' ' A' ' 53' ' ' SER . 0.3 OUTLIER -85.6 141.52 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.674 1.234 . . . . 0.0 109.283 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.541 ' HA3' ' CB ' ' A' ' 51' ' ' ASP . . . -174.07 153.04 15.92 Favored Glycine 0 CA--C 1.532 1.139 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.608 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -91.31 71.7 6.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.683 0.873 . . . . 0.0 110.297 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.549 ' SG ' HD12 ' A' ' 45' ' ' LEU . 11.6 t -82.06 151.83 26.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.398 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -177.83 161.47 1.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 0.0 109.225 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 46.3 p-90 -70.23 110.62 5.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.487 1.117 . . . . 0.0 108.0 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.649 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -100.34 -47.91 11.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.488 1.117 . . . . 0.0 109.402 179.919 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.648 ' OD2' HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -80.77 -166.67 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.964 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -61.9 77.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 67.2 25.29 73.51 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 49.3 t -102.1 114.18 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.457 0.739 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.549 HD12 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -63.11 97.21 0.11 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.96 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -106.94 134.69 49.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.1 m -108.42 147.42 31.64 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.511 1.132 . . . . 0.0 108.251 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.638 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -79.67 163.46 58.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.613 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.5 Cg_endo -75.04 -14.55 21.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.3 7.9 45.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.373 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.541 ' CB ' ' HA3' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -88.65 15.06 8.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.912 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 14.4 m-85 -108.01 90.69 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.759 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -138.76 82.6 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.1 p -43.77 126.52 4.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 110.068 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.017 ' HB ' HD21 ' A' ' 97' ' ' LEU . 2.0 t -143.64 163.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.391 1.057 . . . . 0.0 109.359 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.673 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -140.3 151.55 45.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.449 179.973 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.918 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.82 147.77 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.073 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -62.67 159.82 15.39 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.45 -32.77 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.4 t30 -89.11 35.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.204 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.67 36.53 1.68 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.582 1.176 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 69.3 m -103.1 97.95 7.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 0.0 109.969 -179.926 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.918 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -107.17 88.83 2.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.551 1.157 . . . . 0.0 109.219 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 4.7 p -98.74 76.58 2.2 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.767 HG21 HG13 ' A' ' 55' ' ' VAL . 20.9 p -111.34 145.95 37.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.575 ' O ' HD22 ' A' ' 67' ' ' LEU . 55.5 p -96.52 148.79 22.46 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.441 1.088 . . . . 0.0 109.939 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -148.61 160.21 43.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.344 179.899 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.445 HG23 ' CG ' ' A' ' 70' ' ' ARG . 11.0 t -95.72 129.18 43.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.138 . . . . 0.0 110.432 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.928 HG11 HD12 ' A' ' 110' ' ' ILE . 60.5 t -86.78 88.99 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.59 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 12.0 mtp180 -88.15 63.67 7.35 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 70' ' ' ARG . 25.1 ttp180 -31.57 -40.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 179.922 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 31.2 p -86.16 108.9 18.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.149 . . . . 0.0 109.938 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.638 ' CE2' ' OD1' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -157.0 165.47 36.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 179.93 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -95.48 82.51 3.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.225 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -46.13 158.02 0.37 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.464 1.102 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -136.43 123.56 21.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 110.99 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.928 HD13 HG23 ' A' ' 81' ' ' THR . 2.5 mp -57.36 151.63 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.382 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -26.6 62.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -55.34 -50.9 68.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.919 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.68 -28.77 0.55 Allowed Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.945 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.928 HG23 HD13 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -80.87 147.59 30.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 110.452 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -85.86 145.0 27.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.355 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.649 ' CD1' HG13 ' A' ' 40' ' ' VAL . 57.6 t-105 -105.11 -86.76 0.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.022 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.609 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 144.07 -106.86 0.43 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.609 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 6.6 m 90.38 -52.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 0.819 . . . . 0.0 110.459 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.556 HG12 ' N ' ' A' ' 87' ' ' ASP . 89.2 t 68.74 -104.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.556 ' N ' HG12 ' A' ' 86' ' ' VAL . 27.3 t0 -62.66 97.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.61 1.193 . . . . 0.0 109.248 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 8.8 t -79.94 64.59 4.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.3 t -103.66 -22.17 13.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 91' ' ' ALA . 8.9 t -89.2 -51.0 5.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 110.343 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.467 ' N ' HG23 ' A' ' 90' ' ' THR . . . -89.54 150.98 22.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -90.43 120.83 31.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.632 1.207 . . . . 0.0 109.241 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.21 122.2 33.63 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.545 1.153 . . . . 0.0 108.262 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.547 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 33.9 mt-30 -97.97 108.63 21.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.137 . . . . 0.0 110.232 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.608 HG22 ' HB3' ' A' ' 36' ' ' GLN . 1.3 t -90.05 128.19 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.229 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 178.2 171.88 42.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.394 1.059 . . . . 0.0 110.989 179.91 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.017 HD21 ' HB ' ' A' ' 55' ' ' VAL . 0.8 OUTLIER -94.23 128.67 40.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 0.727 . . . . 0.0 109.302 179.886 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.6 p -96.43 159.49 14.92 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.526 1.141 . . . . 0.0 110.07 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.621 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -88.37 157.23 18.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 109.199 -179.875 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.4 6.12 46.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -100.3 -16.98 17.5 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.23 51.77 3.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.112 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 105' ' ' PRO . 72.9 m-20 -111.11 144.14 40.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.79 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -33.3 94.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.55 1.156 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.481 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.2 Cg_endo -75.07 111.44 3.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.48 142.39 37.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -141.25 173.42 23.35 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.503 HG21 ' H ' ' A' ' 7' ' ' VAL . 11.8 p -104.93 132.17 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.76 91.5 1.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.928 HD12 HG11 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -83.69 137.62 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.208 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.4 t . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.486 1.116 . . . . 0.0 109.972 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.576 ' O ' HG23 ' A' ' 6' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.455 -0.778 0 N-CA-C 110.871 -0.473 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.922 ' HB ' HD13 ' A' ' 26' ' ' LEU . 30.6 p 46.94 -159.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.67 1.231 . . . . 0.0 110.402 179.859 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.8 ' HB2' HD22 ' A' ' 26' ' ' LEU . . . -58.97 114.92 2.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -140.18 145.08 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.63 1.206 . . . . 0.0 110.326 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.033 HG12 ' HD2' ' A' ' 9' ' ' PRO . 4.7 t -79.83 130.66 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.602 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -39.19 -61.76 0.91 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.614 1.196 . . . . 0.0 110.387 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.033 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.94 -155.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.84 -34.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.971 179.904 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 111' ' ' SER . 0.4 OUTLIER -83.28 37.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.998 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -92.88 19.72 49.99 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.501 1.126 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.627 HD12 ' N ' ' A' ' 14' ' ' SER . 1.8 pp -35.23 -47.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 0.808 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.627 ' N ' HD12 ' A' ' 13' ' ' LEU . 9.4 t -154.92 -124.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.501 1.126 . . . . 0.0 110.054 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER 42.74 34.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 37.49 55.75 1.63 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.828 ' O ' HG12 ' A' ' 69' ' ' VAL . 3.7 m -69.5 105.0 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 -179.889 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.788 HG22 ' OG1' ' A' ' 68' ' ' THR . 5.1 t -94.77 122.46 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.902 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -151.68 -167.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.175 -179.883 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 2.6 mttt -107.37 140.95 39.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.421 179.849 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 6' ' ' THR . 64.6 t -114.41 103.69 15.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.09 127.13 35.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -109.46 94.28 0.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.678 1.236 . . . . 0.0 110.948 -179.917 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.93 110.52 21.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.578 0.81 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.82 32.41 29.93 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.599 1.187 . . . . 0.0 111.129 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.922 HD13 ' HB ' ' A' ' 4' ' ' THR . 10.9 tp -99.33 -138.08 0.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.991 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.6 mp0 -52.21 90.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -60.08 84.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 73.43 15.05 79.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.421 1.076 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.528 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.6 -178.44 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 0.822 . . . . 0.0 110.481 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.737 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -144.68 103.12 3.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.383 179.873 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.716 ' HB2' HD12 ' A' ' 97' ' ' LEU . 12.4 m-30 -114.17 170.18 8.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.5 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -90.91 112.41 24.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 179.977 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.663 HG23 ' HB3' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -74.29 144.52 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.182 . . . . 0.0 109.192 -179.918 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.639 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 169.24 161.67 20.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 111.068 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.807 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -98.43 107.41 19.86 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.393 0.702 . . . . 0.0 110.387 179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.498 ' SG ' HD23 ' A' ' 45' ' ' LEU . 2.3 t -108.0 152.82 23.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 108.335 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.653 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -172.6 165.26 5.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 109.264 179.935 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.526 ' CZ3' ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -78.69 117.9 20.26 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.623 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.9 OUTLIER -106.99 -47.55 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.239 -179.939 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.6 ' OD2' ' CZ2' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -87.99 -175.45 5.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.401 1.063 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.653 ' O ' HG23 ' A' ' 44' ' ' VAL . 46.9 m -50.33 92.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 49.76 23.16 4.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.059 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 42' ' ' THR . 53.3 t -98.35 117.23 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.6 0.824 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -69.67 105.48 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -113.51 134.86 54.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.373 1.046 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.5 m -97.66 155.94 16.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 108.155 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.474 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -85.57 167.0 27.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.163 . . . . 0.0 109.25 -179.944 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.64 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.0 Cg_endo -75.05 -11.39 21.38 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.546 1.814 . . . . 0.0 110.937 -179.902 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.48 12.26 31.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.36 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.639 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -89.47 6.75 39.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.067 . . . . 0.0 109.362 179.943 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -105.99 93.02 4.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 111.037 179.938 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.476 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -149.68 85.24 1.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.617 1.198 . . . . 0.0 109.944 -179.884 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 55' ' ' VAL . 28.5 t -35.31 140.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 110.058 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.068 HG13 HG21 ' A' ' 65' ' ' THR . 2.7 t -155.4 144.74 12.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.479 1.112 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.737 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -132.21 146.21 51.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 110.379 -179.927 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.994 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -105.98 143.78 33.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -63.07 158.37 19.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.41 -29.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 58' ' ' ASP . 20.6 t30 -88.4 34.72 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.91 40.21 3.09 Favored Glycine 0 CA--C 1.528 0.873 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 3.4 m -105.56 100.25 9.83 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.356 0.68 . . . . 0.0 109.959 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.994 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -104.95 85.46 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.414 179.867 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 p -95.83 74.76 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 -179.941 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 1.068 HG21 HG13 ' A' ' 55' ' ' VAL . 82.2 p -110.03 136.39 49.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.972 ' O ' HD22 ' A' ' 67' ' ' LEU . 63.7 p -105.69 143.43 33.85 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.405 1.066 . . . . 0.0 110.036 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.972 HD22 ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -160.11 -174.52 4.59 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.788 ' OG1' HG22 ' A' ' 18' ' ' VAL . 63.4 m -108.26 126.49 52.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 17' ' ' THR . 4.5 p -89.22 92.42 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.468 ' N ' ' OE1' ' A' ' 36' ' ' GLN . 4.2 mmt180 -96.04 125.63 40.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 22.2 ttp180 -91.43 -39.98 11.68 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.351 1.032 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 13.6 p -85.02 131.78 34.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.049 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.512 ' HB3' ' CG ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 161.78 -177.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.952 -179.962 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.489 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 2.5 tt0 -91.34 107.19 19.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.418 ' HA3' ' OG1' ' A' ' 85' ' ' THR . . . -88.72 167.75 35.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -135.46 132.89 37.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.727 . . . . 0.0 111.032 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.532 ' CD1' ' HB2' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -53.11 176.2 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.585 1.178 . . . . 0.0 109.356 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -82.79 -27.07 31.23 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.574 1.171 . . . . 0.0 111.084 179.909 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.452 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -61.42 -57.89 10.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.49 -27.54 0.25 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -73.06 146.29 45.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 0.817 . . . . 0.0 110.404 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.432 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 23.8 ptt180 -81.61 139.27 35.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 -179.892 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.623 ' CD1' HG13 ' A' ' 40' ' ' VAL . 60.6 t-105 -97.06 -88.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 108.03 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.489 ' O ' ' HA ' ' A' ' 74' ' ' GLU . . . 173.04 -57.3 0.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 87' ' ' ASP . 61.8 m 69.95 -62.37 0.43 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.406 0.71 . . . . 0.0 110.488 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 72' ' ' SER . 57.6 t 66.24 -67.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 179.879 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 85' ' ' THR . 0.5 OUTLIER -143.79 96.2 2.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.4 1.063 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 4.0 t -68.33 67.23 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 108.259 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 87' ' ' ASP . 9.7 t -106.31 -12.87 15.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.044 . . . . 0.0 110.445 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 91' ' ' ALA . 10.0 t -89.24 -55.01 3.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.01 130.78 36.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.75 115.06 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.343 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.653 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -81.94 124.08 29.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 108.352 179.913 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.49 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.9 pt20 -101.59 123.36 45.48 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.411 1.069 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.807 HG22 ' HG2' ' A' ' 36' ' ' GLN . 44.0 t -87.44 114.89 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.576 1.172 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.16 170.12 38.51 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.777 HD21 ' CD2' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -107.52 133.39 52.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.6 p -103.3 154.93 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.507 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -64.23 160.71 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 -179.952 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.38 -3.08 38.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.235 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.08 -87.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -173.35 37.12 0.13 Allowed Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.439 1.087 . . . . 0.0 110.99 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -147.87 151.4 35.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.233 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 177.68 66.22 0.06 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.521 1.138 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 1.68 7.48 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.523 1.802 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.31 149.89 27.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 140.74 147.97 5.04 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 -179.922 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.3 p -104.41 128.76 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.431 0.724 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.09 90.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.769 HG21 HG21 ' A' ' 69' ' ' VAL . 1.5 tp -81.08 159.61 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.454 ' O ' HD23 ' A' ' 13' ' ' LEU . 4.4 p . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.573 1.171 . . . . 0.0 110.01 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.606 ' C ' HG23 ' A' ' 4' ' ' THR . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.81 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.62 ' HB ' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER 57.25 -164.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.335 179.927 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.918 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -74.23 127.49 33.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -137.08 143.78 42.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.406 1.066 . . . . 0.0 110.382 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.953 ' HB ' HD11 ' A' ' 110' ' ' ILE . 3.5 t -88.32 113.11 24.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.563 1.165 . . . . 0.0 109.307 179.899 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.732 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -51.27 -68.7 0.36 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.95 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.732 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.05 52.24 3.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.753 ' HA ' HD23 ' A' ' 13' ' ' LEU . 79.9 p -87.4 -0.55 56.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 p -93.2 128.18 39.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.065 179.904 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 41.16 47.92 4.39 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.999 HD21 HG23 ' A' ' 110' ' ' ILE . 0.8 OUTLIER -73.16 173.35 9.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 0.729 . . . . 0.0 109.266 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 69' ' ' VAL . 1.6 t -135.85 153.19 51.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.051 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.421 ' HA ' ' HA ' ' A' ' 70' ' ' ARG . 29.9 p-10 -61.19 99.24 0.09 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.45 ' HA2' ' CG2' ' A' ' 68' ' ' THR . . . 112.99 24.62 4.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.34 126.32 39.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 0.751 . . . . 0.0 110.429 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -72.83 115.68 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.95 ' HB ' HG13 ' A' ' 7' ' ' VAL . 5.1 m -120.7 162.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.328 1.017 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.68 115.73 29.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.918 HG12 ' HB1' ' A' ' 5' ' ' ALA . 1.4 t -91.47 91.04 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.61 112.15 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.496 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -110.84 139.9 15.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.436 1.085 . . . . 0.0 111.077 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.04 118.7 9.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.28 -179.932 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 85.78 9.53 77.81 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.938 ' HG ' HD11 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -71.41 -107.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.865 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 17.2 mm-40 -49.79 -21.44 1.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.43 1.081 . . . . 0.0 110.245 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.436 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 64.13 17.01 10.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 124.74 -8.27 8.22 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.579 1.174 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.487 HG22 ' H ' ' A' ' 31' ' ' ALA . 1.3 m -80.87 -161.42 0.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 0.757 . . . . 0.0 110.474 179.933 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.534 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -143.53 122.37 12.69 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.817 ' HB2' HD12 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -123.84 176.24 6.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.409 1.068 . . . . 0.0 111.025 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.495 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 15.2 t0 -100.94 126.39 47.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.598 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -86.06 139.82 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.445 179.898 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.558 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 173.41 148.93 6.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.095 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.744 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -91.97 108.71 20.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.566 0.804 . . . . 0.0 110.348 179.912 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.1 t -108.14 149.36 28.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 108.299 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -174.01 154.72 2.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.5 p-90 -62.15 115.47 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.981 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -98.17 -42.02 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.453 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -84.23 -154.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.74 ' O ' HG23 ' A' ' 42' ' ' THR . 6.6 t -75.77 56.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.453 179.901 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.46 1.16 57.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.455 1.097 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 21.1 t -78.97 113.61 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.426 0.721 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 104.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.388 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.981 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -114.71 134.89 54.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.366 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.8 m -101.48 156.06 17.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 108.339 179.944 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.613 HD22 ' N ' ' A' ' 48' ' ' ASN . 1.2 m120 -85.7 165.73 33.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.606 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.04 -9.86 20.9 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.461 1.769 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.66 14.01 29.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.558 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.92 7.39 31.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.237 -179.917 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.606 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 2.2 m-85 -105.79 90.33 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.065 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.581 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -145.73 84.01 1.66 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.123 . . . . 0.0 109.987 179.957 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 53' ' ' SER . 14.5 t -33.15 143.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.686 HG21 HG21 ' A' ' 65' ' ' THR . 1.3 p -152.05 149.71 13.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.223 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.534 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -137.03 138.82 40.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.43 179.982 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.952 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -105.69 136.72 44.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 1.045 . . . . 0.0 109.394 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.646 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -58.65 162.31 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -36.99 -37.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -87.85 38.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.367 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.646 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.58 38.95 1.63 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.47 1.106 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -93.99 93.58 7.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 0.79 . . . . 0.0 109.992 179.964 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.952 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.29 79.85 1.43 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.455 1.097 . . . . 0.0 109.225 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 p -91.44 77.66 5.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.065 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.686 HG21 HG21 ' A' ' 55' ' ' VAL . 3.8 t -109.18 146.05 34.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.359 1.037 . . . . 0.0 110.348 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.507 ' O ' HD22 ' A' ' 67' ' ' LEU . 28.0 p -106.32 149.34 27.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.507 HD22 ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -152.53 174.6 13.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.45 ' CG2' ' HA2' ' A' ' 16' ' ' GLY . 52.3 m -106.42 135.46 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.358 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.932 HG11 HD22 ' A' ' 13' ' ' LEU . 25.1 t -88.73 90.91 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.602 1.189 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' ARG . 1.2 mtt180 -100.87 69.59 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 110.232 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -36.01 -38.32 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.609 1.193 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 9.8 p -79.52 110.41 14.8 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.595 ' CE1' ' ND2' ' A' ' 48' ' ' ASN . 8.2 p90 -157.82 147.77 20.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.474 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 58.8 tt0 -80.44 79.05 7.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.797 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -37.79 150.65 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.105 . . . . 0.0 111.049 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.549 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -137.02 117.4 13.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.578 0.81 . . . . 0.0 110.985 179.945 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.868 HD12 ' CG2' ' A' ' 81' ' ' THR . 6.8 mt -56.78 124.61 19.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -55.66 -25.57 40.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 111.049 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -52.48 -48.9 65.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.384 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.0 -24.54 0.48 Allowed Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.517 1.136 . . . . 0.0 111.074 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.868 ' CG2' HD12 ' A' ' 77' ' ' LEU . 10.7 t -89.6 145.57 25.17 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.427 0.722 . . . . 0.0 110.461 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -94.49 142.59 27.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.245 -179.891 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.751 ' HB2' HD21 ' A' ' 77' ' ' LEU . 67.5 t-105 -104.91 -89.07 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 107.989 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.597 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 141.44 -106.19 0.46 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.533 1.146 . . . . 0.0 110.8 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.597 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 58.0 m 82.29 -50.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 0.748 . . . . 0.0 110.392 -179.899 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.546 HG12 ' N ' ' A' ' 87' ' ' ASP . 93.5 t 69.08 -103.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.546 ' N ' HG12 ' A' ' 86' ' ' VAL . 8.8 t0 -49.58 95.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 40.5 t -81.81 52.7 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 108.201 -179.922 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.9 t -93.5 -22.53 18.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 m -88.55 -50.91 5.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.401 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -89.39 149.74 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.233 -179.877 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.448 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -88.79 118.32 28.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.419 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -90.63 122.04 33.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.608 1.192 . . . . 0.0 108.237 -179.929 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.514 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 29.5 mt-30 -94.37 112.43 24.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.815 ' HB ' HD13 ' A' ' 110' ' ' ILE . 36.9 t -87.86 114.74 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -165.72 175.73 41.33 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.938 HD11 ' HG ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -106.47 124.16 49.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.804 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.6 p -97.16 167.09 11.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.389 1.055 . . . . 0.0 109.932 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.639 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -76.13 160.81 29.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.29 -4.51 30.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.18 -29.96 17.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.8 46.52 2.08 Favored Glycine 0 CA--C 1.532 1.134 0 O-C-N 124.453 1.095 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 70.5 m-80 -148.28 161.54 41.3 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.467 0.746 . . . . 0.0 109.202 -179.888 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.62 100.94 2.57 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.613 1.196 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 50.06 2.4 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.434 1.755 . . . . 0.0 110.962 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.3 119.72 31.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.93 148.94 7.92 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.342 1.026 . . . . 0.0 111.075 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.808 HG13 HD12 ' A' ' 110' ' ' ILE . 14.6 p -97.77 137.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.56 94.31 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.614 1.196 . . . . 0.0 109.366 179.872 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.999 HG23 HD21 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -79.26 139.79 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.2 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.957 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.542 ' HD2' ' HB3' ' A' ' 24' ' ' ALA . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.033 -0.41 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.719 ' HB ' HD22 ' A' ' 26' ' ' LEU . 1.3 p 54.94 -145.89 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.221 179.93 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.649 ' HB2' HD21 ' A' ' 97' ' ' LEU . . . -77.11 122.39 24.92 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.2 p -143.8 144.93 32.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.465 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.993 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.7 t -76.94 134.12 29.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.217 -179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.559 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -41.69 -59.65 2.35 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 -179.956 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.993 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.11 -160.89 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.52 -44.85 0.68 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -80.74 68.18 6.89 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.945 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -61.3 -9.67 17.71 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.924 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.927 ' O ' HD12 ' A' ' 13' ' ' LEU . 4.2 pp -67.87 61.25 0.07 Allowed 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.498 0.763 . . . . 0.0 109.334 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -136.75 127.33 26.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.912 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 14' ' ' SER . 11.9 p-10 -33.78 94.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.58 1.175 . . . . 0.0 109.382 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 51.31 68.53 1.47 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.438 1.086 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.521 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 2.1 m -69.58 109.54 4.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.462 0.742 . . . . 0.0 110.377 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.717 HG22 HG23 ' A' ' 68' ' ' THR . 3.5 t -89.34 118.33 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.961 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -150.2 -171.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.927 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -113.01 137.15 51.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.943 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 6' ' ' THR . 86.0 t -110.78 105.16 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.98 130.01 35.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.49 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -105.84 109.12 3.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.127 . . . . 0.0 111.07 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.542 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . . . -92.99 110.78 22.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 0.79 . . . . 0.0 109.387 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.76 40.95 99.01 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.719 HD22 ' HB ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -86.13 -122.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 0.752 . . . . 0.0 109.373 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.686 ' N ' HD12 ' A' ' 26' ' ' LEU . 7.4 mm-40 -41.71 -24.48 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.461 1.1 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.523 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 56.95 56.34 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 93.73 -27.86 11.58 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.636 HG22 ' H ' ' A' ' 31' ' ' ALA . 2.7 m -65.3 -159.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 0.773 . . . . 0.0 110.441 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.905 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -153.28 129.24 10.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 109.271 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.746 ' CE1' ' HA ' ' A' ' 99' ' ' ASP . 1.5 m-30 -132.36 -167.63 1.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 111.021 179.918 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -117.81 117.74 30.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.855 HG21 HG21 ' A' ' 65' ' ' THR . 2.0 t -77.36 150.39 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.12 . . . . 0.0 109.234 -179.881 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.607 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 169.77 148.5 5.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.686 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -92.3 82.86 4.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.342 0.672 . . . . 0.0 110.32 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 t -92.73 151.59 19.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.19 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -171.42 171.78 5.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.466 ' CD1' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -77.21 122.49 25.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.995 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.571 HG23 ' HA ' ' A' ' 85' ' ' THR . 6.2 p -101.65 -49.07 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.203 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.496 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -89.52 -159.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -81.47 91.83 6.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.855 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.31 8.5 75.28 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.542 1.151 . . . . 0.0 111.044 -179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.496 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 6.4 t -96.48 112.25 28.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.628 0.84 . . . . 0.0 109.242 -179.951 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -75.32 120.49 20.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.934 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . . . -130.4 143.01 50.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 3.7 m -110.75 149.59 30.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.212 -179.876 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.579 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -82.51 171.94 10.67 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.943 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.53 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -74.88 -10.07 21.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.307 1.688 . . . . 0.0 111.051 179.903 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.23 13.56 32.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.607 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -89.03 9.22 26.03 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 9.0 m-85 -106.52 98.8 8.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.47 ' HB3' HG12 ' A' ' 34' ' ' VAL . 47.3 t -144.97 79.02 1.58 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.42 1.075 . . . . 0.0 109.961 -179.915 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.6 p -56.5 126.59 27.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.431 1.082 . . . . 0.0 109.987 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.744 HG21 ' HB ' ' A' ' 65' ' ' THR . 9.8 p -154.69 161.26 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.905 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -124.9 148.73 48.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.975 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -92.78 137.43 32.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.431 1.082 . . . . 0.0 109.401 179.844 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER -64.52 160.75 18.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.24 -37.89 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.38 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -87.96 38.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.41 1.069 . . . . 0.0 109.359 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.642 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.95 37.44 1.39 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.49 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 49.4 m -96.62 99.89 11.49 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.42 0.717 . . . . 0.0 109.926 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -102.9 87.15 2.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.8 p -95.62 81.2 3.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.077 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.855 HG21 HG21 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -107.76 133.54 52.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.922 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 34.4 p -92.74 138.36 31.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.944 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.864 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -153.66 167.45 29.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.864 ' H ' HD13 ' A' ' 67' ' ' LEU . 51.1 m -106.65 141.97 37.05 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.431 1.082 . . . . 0.0 110.442 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 17' ' ' THR . 21.8 t -88.18 87.37 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.382 1.051 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -87.02 72.6 10.04 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.512 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 4.6 ttm180 -45.69 -36.06 4.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.636 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 17.2 p -104.08 128.31 51.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.04 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 72' ' ' SER . 0.4 OUTLIER 160.58 126.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.427 1.079 . . . . 0.0 111.029 -179.943 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.675 ' CB ' HG23 ' A' ' 86' ' ' VAL . 17.1 tt0 -80.28 122.57 27.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -111.5 -140.19 8.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.423 1.077 . . . . 0.0 110.889 -179.878 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 47' ' ' CYS . 42.2 p90 -130.77 150.61 51.86 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.45 0.735 . . . . 0.0 110.951 -179.907 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.507 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 1.3 mt -88.15 175.47 7.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.401 179.887 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -60.1 -27.97 67.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 111.064 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.04 -59.66 2.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.112 . . . . 0.0 109.257 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.66 -27.92 0.2 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.499 ' HB ' HD12 ' A' ' 77' ' ' LEU . 32.1 m -40.25 130.43 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 0.781 . . . . 0.0 110.434 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -75.51 74.01 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.972 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.663 ' O ' ' N ' ' A' ' 75' ' ' GLY . 1.9 t90 -112.99 -79.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.661 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 55.8 132.69 0.01 OUTLIER Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.661 ' C ' ' O ' ' A' ' 84' ' ' GLY . 8.4 m 11.88 -81.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 0.712 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.675 HG23 ' CB ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER 86.26 -42.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.597 1.186 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -153.8 91.59 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.609 1.193 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.512 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -80.55 53.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.359 1.037 . . . . 0.0 108.295 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.5 t -92.46 -5.95 50.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 m -144.7 -46.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.433 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.86 135.03 43.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.378 1.049 . . . . 0.0 109.247 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.766 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -80.96 126.5 31.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.228 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.84 123.76 34.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.29 179.935 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.591 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 31.3 mt-30 -94.19 103.09 15.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.686 HG22 ' HB3' ' A' ' 36' ' ' GLN . 2.0 t -87.45 114.74 26.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 124.534 1.146 . . . . 0.0 109.197 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -166.1 171.27 41.13 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.77 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -98.47 120.96 39.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 0.818 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 104' ' ' GLY . 3.9 m -106.84 170.59 7.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.043 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.746 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -51.75 164.88 0.21 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.604 1.19 . . . . 0.0 109.233 -179.926 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.47 -30.75 42.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.0 10.99 14.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.561 1.163 . . . . 0.0 109.207 -179.934 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 99' ' ' ASP . . . 66.15 33.33 84.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.954 179.904 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.43 ' O ' ' OD2' ' A' ' 99' ' ' ASP . 66.4 m-20 -102.88 156.73 17.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.4 ' O ' ' OG ' ' A' ' 98' ' ' SER . . . 101.99 121.43 4.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.394 1.059 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 49.62 2.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.569 1.826 . . . . 0.0 111.046 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.49 121.22 33.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.408 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . 151.07 154.82 6.67 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 p -106.2 139.81 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.234 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.766 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -74.49 90.34 2.2 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.5 ' O ' ' CB ' ' A' ' 111' ' ' SER . 2.3 tp -90.17 153.3 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.756 ' O ' HD23 ' A' ' 13' ' ' LEU . 1.6 m . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.006 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.941 ' HG2' HG21 ' A' ' 6' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.451 -0.983 0 N-CA-C 111.078 -0.393 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.632 ' HB ' HD22 ' A' ' 26' ' ' LEU . 25.4 p 40.7 -122.61 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.471 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -85.54 127.69 34.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 109.329 -179.909 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.941 HG21 ' HG2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -149.8 143.38 25.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.613 1.195 . . . . 0.0 110.346 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.895 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.0 t -74.49 130.79 35.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.49 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.12 -55.94 1.27 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 0.0 110.363 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.895 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.97 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.605 1.845 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 m -137.55 -52.91 0.66 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 111' ' ' SER . 88.3 p -77.54 90.37 3.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.419 1.074 . . . . 0.0 109.938 -179.926 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.531 ' CA ' HG11 ' A' ' 69' ' ' VAL . . . -65.79 -4.64 20.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.106 . . . . 0.0 111.052 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 111' ' ' SER . 1.0 OUTLIER -72.53 54.08 0.32 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 0.759 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -130.52 121.15 25.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.93 179.968 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' A' ' 14' ' ' SER . 1.8 t70 -34.61 93.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.332 179.905 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 40.51 69.72 0.45 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.401 1.063 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.48 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.3 OUTLIER -75.4 122.36 23.68 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.449 0.735 . . . . 0.0 110.404 -179.956 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.747 HG13 ' OG1' ' A' ' 68' ' ' THR . 1.9 t -94.16 121.97 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.741 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -148.2 -171.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -119.55 136.05 54.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.902 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.709 ' HB ' HG23 ' A' ' 65' ' ' THR . 2.7 t -99.96 113.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -87.67 127.23 35.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.212 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.753 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -103.86 109.0 3.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 0.0 111.058 179.862 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.43 89.98 3.16 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.48 0.753 . . . . 0.0 109.354 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.94 32.4 6.5 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.632 HD22 ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -88.89 -136.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 0.785 . . . . 0.0 109.369 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.996 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 7.3 mm-40 -61.46 91.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.29 81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.375 1.047 . . . . 0.0 109.193 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 82.52 4.83 89.97 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.411 1.07 . . . . 0.0 111.074 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.555 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -89.88 -178.21 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 0.807 . . . . 0.0 110.341 -179.934 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.696 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -141.51 112.65 7.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.434 1.084 . . . . 0.0 109.203 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.763 ' HB2' HD12 ' A' ' 97' ' ' LEU . 6.8 m-30 -116.62 -169.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.485 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -118.93 114.67 22.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.751 HG21 HG21 ' A' ' 65' ' ' THR . 2.5 t -73.9 146.97 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.647 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 170.08 149.99 6.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.713 ' HG3' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -92.54 100.0 12.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.634 0.844 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.628 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 3.9 t -106.27 168.98 8.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 108.329 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 167.94 162.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 109.376 -179.95 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 14.3 p90 -75.24 109.7 8.96 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.954 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.649 HG21 ' CD1' ' A' ' 83' ' ' TRP . 8.8 p -86.84 -52.33 11.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.515 ' N ' HG13 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -89.53 -169.61 2.54 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.33 1.019 . . . . 0.0 109.231 -179.938 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.499 ' O ' HG23 ' A' ' 44' ' ' VAL . 17.2 m -59.89 94.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.47 18.57 30.44 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.533 1.146 . . . . 0.0 110.914 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.602 HG11 HD22 ' A' ' 77' ' ' LEU . 48.6 t -92.53 105.77 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.419 0.717 . . . . 0.0 109.362 179.908 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.71 106.72 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.569 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -121.17 148.26 44.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.429 ' O ' ' HA3' ' A' ' 75' ' ' GLY . 13.2 m -115.82 153.82 30.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 108.31 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.544 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -82.34 172.69 8.98 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 124.428 1.08 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.585 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.05 -11.63 21.39 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.81 18.73 21.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.647 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -87.25 7.22 29.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -108.3 101.74 10.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.613 1.195 . . . . 0.0 110.978 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.49 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 23.1 t -151.34 80.56 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.1 p -49.34 129.15 18.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.913 HG21 ' CB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -150.46 160.34 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.696 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -136.06 147.02 47.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.996 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -107.48 145.73 32.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -70.96 157.4 38.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 0.0 109.337 179.981 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.92 -26.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.618 1.199 . . . . 0.0 109.337 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 58' ' ' ASP . 20.2 t-20 -87.1 34.59 0.68 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.13 36.04 1.89 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.296 0.998 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 1.3 m -97.88 96.75 8.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 0.703 . . . . 0.0 109.962 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.753 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . . . -96.29 88.9 4.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.395 1.06 . . . . 0.0 109.408 179.887 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.6 p -88.35 81.55 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.087 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.913 ' CB ' HG21 ' A' ' 55' ' ' VAL . 10.0 t -106.09 169.86 8.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 -179.887 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 87.4 p -150.89 143.85 24.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.695 1.247 . . . . 0.0 109.851 -179.911 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.488 HD13 ' OG ' ' A' ' 53' ' ' SER . 5.6 tp -166.36 176.5 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 179.915 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.747 ' OG1' HG13 ' A' ' 18' ' ' VAL . 18.4 m -108.41 143.48 37.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.64 1.213 . . . . 0.0 110.461 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.531 HG11 ' CA ' ' A' ' 12' ' ' GLY . 14.1 t -88.47 86.42 2.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 109.339 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.656 ' O ' ' CE2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -87.09 71.53 10.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.392 1.058 . . . . 0.0 110.23 -179.869 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.498 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 3.0 tmm_? -35.81 -37.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 73' ' ' PHE . 97.6 p -104.05 134.88 46.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.682 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER 163.08 119.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.715 ' CB ' HG23 ' A' ' 86' ' ' VAL . 29.3 tt0 -77.87 116.12 18.13 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 179.878 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -105.22 -146.78 15.08 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.54 1.15 . . . . 0.0 110.919 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.543 ' CD2' ' O ' ' A' ' 77' ' ' LEU . 3.3 p90 -130.02 152.07 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 111.058 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.602 HD22 HG11 ' A' ' 44' ' ' VAL . 1.1 mt -89.84 174.31 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.209 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -62.94 -22.93 67.14 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.586 1.179 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -79.37 -57.4 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.247 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.58 -25.2 0.28 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.494 1.122 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.453 ' HB ' ' CD1' ' A' ' 77' ' ' LEU . 2.9 m -47.18 133.84 11.51 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 124.475 0.75 . . . . 0.0 110.553 179.919 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -80.04 76.09 6.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.6 1.188 . . . . 0.0 110.359 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.649 ' CD1' HG21 ' A' ' 40' ' ' VAL . 1.6 t90 -111.09 -84.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.01 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.679 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 56.51 121.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.423 1.077 . . . . 0.0 111.023 -179.904 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.642 ' O ' HG12 ' A' ' 86' ' ' VAL . 47.2 m 16.51 -81.74 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 124.502 0.766 . . . . 0.0 110.445 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.715 HG23 ' CB ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER 87.96 -34.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.656 1.222 . . . . 0.0 109.387 -179.984 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.465 ' CG ' ' CG2' ' A' ' 89' ' ' THR . 8.4 t0 -159.78 93.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.381 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.498 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -69.86 61.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 108.23 -179.898 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.465 ' CG2' ' CG ' ' A' ' 87' ' ' ASP . 33.9 p -105.52 -5.8 19.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.589 1.181 . . . . 0.0 110.356 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.0 m -150.08 -45.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 -179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.42 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -74.49 135.24 42.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.607 1.192 . . . . 0.0 109.237 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.26 107.7 18.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.54 ' SG ' HG21 ' A' ' 85' ' ' THR . 0.6 OUTLIER -87.6 125.59 34.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.627 1.204 . . . . 0.0 108.327 179.993 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 94' ' ' GLN . 2.5 pt20 -100.23 119.64 38.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.396 179.889 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.713 HG13 ' HG3' ' A' ' 36' ' ' GLN . 1.8 t -89.49 120.27 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.379 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.07 174.77 44.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -105.72 128.56 53.76 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 0.777 . . . . 0.0 109.326 179.912 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.481 ' CB ' ' HB3' ' A' ' 105' ' ' PRO . 55.2 p -97.26 163.67 12.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -86.68 158.99 19.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.376 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.39 11.44 14.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.924 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -104.08 -22.91 13.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.64 52.94 2.86 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 105' ' ' PRO . 88.5 m-20 -116.07 152.35 33.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 0.816 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -33.89 95.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.434 1.084 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.481 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 18.4 Cg_endo -75.09 139.68 24.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.78 142.16 28.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.17 156.04 27.36 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.424 1.078 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.684 HG21 HG22 ' A' ' 6' ' ' THR . 0.8 OUTLIER -106.06 124.23 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 0.735 . . . . 0.0 109.226 -179.963 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.0 93.54 0.2 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.472 HD13 HG13 ' A' ' 108' ' ' VAL . 1.2 tp -92.74 142.43 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.596 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.557 0 O-C-N 124.586 1.179 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.439 ' C ' HG23 ' A' ' 4' ' ' THR . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 111.05 -0.404 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.521 ' HB ' HD22 ' A' ' 26' ' ' LEU . 1.1 p 52.11 -153.65 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.791 ' HB2' HD11 ' A' ' 97' ' ' LEU . . . -75.47 128.04 34.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.383 179.904 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.594 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.6 OUTLIER -149.48 179.14 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 -179.941 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.8 HG13 HG21 ' A' ' 19' ' ' VAL . 4.6 t -114.58 127.34 72.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.779 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -35.7 -69.7 0.16 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.934 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.898 ' CG ' HG11 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.01 -160.91 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.573 1.828 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -139.37 -45.23 0.45 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.432 1.083 . . . . 0.0 109.956 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -62.74 74.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.959 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.921 ' HA2' HG11 ' A' ' 69' ' ' VAL . . . -61.56 -8.92 15.61 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.549 ' CD1' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -78.81 51.67 1.13 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.41 0.712 . . . . 0.0 109.354 179.931 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -126.15 120.67 30.72 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.407 1.067 . . . . 0.0 109.98 179.959 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' SER . 21.5 p-10 -36.1 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 39.51 69.81 0.39 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.606 HG23 HG13 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -77.33 117.61 19.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 0.0 110.424 179.95 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -85.58 114.25 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.355 179.923 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.898 HG11 ' CG ' ' A' ' 9' ' ' PRO . 33.8 m -134.66 -171.69 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.213 -179.891 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -113.23 134.68 54.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.594 ' HA ' ' O ' ' A' ' 6' ' ' THR . 4.9 t -109.74 102.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.45 133.17 33.79 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.356 1.035 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -123.09 77.21 0.35 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.43 1.081 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.0 125.09 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.424 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 89.25 15.33 59.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.88 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.521 HD22 ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -84.77 -146.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 -179.933 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.766 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 3.5 mt-30 -76.11 84.33 2.96 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.694 1.247 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 59' ' ' ALA . . . -66.18 115.51 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.51 -22.78 35.46 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.472 1.108 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.486 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.11 -177.81 5.0 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.549 0.793 . . . . 0.0 110.388 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.808 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -148.81 154.79 40.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.383 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 1.245 ' CE1' HD22 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -150.33 -169.03 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.406 1.066 . . . . 0.0 110.975 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.2 m-20 -108.89 116.78 32.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.021 HG21 HG21 ' A' ' 65' ' ' THR . 43.1 t -79.26 130.49 36.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.62 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 179.62 163.05 29.73 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.632 1.207 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.544 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -96.23 101.63 13.31 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.527 0.78 . . . . 0.0 110.257 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 5.7 t -108.11 154.12 22.16 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.478 1.111 . . . . 0.0 108.319 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 175.62 170.8 0.35 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.421 1.076 . . . . 0.0 109.345 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.5 p-90 -75.56 112.79 12.27 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.683 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -102.62 -50.91 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.177 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.525 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 0.6 OUTLIER -91.35 170.2 10.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.487 ' C ' ' O ' ' A' ' 41' ' ' ASP . 97.5 m -31.9 96.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.381 1.051 . . . . 0.0 110.255 -179.924 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 40.22 27.17 0.13 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.146 . . . . 0.0 110.954 179.897 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.049 HG11 HD23 ' A' ' 77' ' ' LEU . 2.1 t -100.37 118.27 46.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.215 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -68.39 107.99 3.07 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -121.35 137.76 54.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.215 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 34.4 m -101.31 154.69 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.206 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.629 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 2.1 m120 -75.35 161.6 76.17 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.475 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.6 Cg_endo -74.93 -15.57 20.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.385 1.729 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.67 18.21 21.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.62 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.82 5.26 41.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 3.1 m-85 -96.72 86.72 4.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.3 t -137.37 74.55 1.49 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 109.904 -179.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 p -43.29 125.79 3.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.077 179.922 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.876 HG21 ' OG1' ' A' ' 65' ' ' THR . 2.1 t -147.66 164.76 6.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.808 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -133.37 160.51 37.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 179.924 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -105.92 138.19 42.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -67.88 155.66 38.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.459 ' O ' ' HB1' ' A' ' 28' ' ' ALA . . . -38.53 -31.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' A' ' 58' ' ' ASP . 5.9 t30 -88.41 35.34 0.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.373 1.046 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 38.03 42.76 1.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.478 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 73.6 m -113.3 106.78 15.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 0.741 . . . . 0.0 110.034 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.418 ' HB2' ' OH ' ' A' ' 32' ' ' TYR . . . -107.44 88.9 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.367 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -93.97 79.45 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.927 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 1.021 HG21 HG21 ' A' ' 34' ' ' VAL . 8.8 t -109.07 136.87 47.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 110.474 179.899 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.5 p -89.31 139.16 30.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.938 ' CD1' HG12 ' A' ' 34' ' ' VAL . 2.5 mt -143.2 165.53 27.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.9 t -105.65 134.46 48.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.921 HG11 ' HA2' ' A' ' 12' ' ' GLY . 40.4 t -89.61 83.32 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.755 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 24.3 mtt-85 -103.95 67.47 0.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.856 HH21 HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -37.25 -30.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 13.3 p -90.4 120.23 31.35 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.912 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.755 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -177.02 170.41 2.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.455 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 20.6 tt0 -94.25 104.81 16.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.81 161.5 43.38 Favored Glycine 0 CA--C 1.532 1.142 0 O-C-N 124.393 1.058 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 80' ' ' GLY . 13.6 t80 -134.79 118.67 17.28 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.679 0.87 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.049 HD23 HG11 ' A' ' 44' ' ' VAL . 1.7 mp -55.59 136.9 49.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.504 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.7 t80 -60.82 -25.83 66.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.891 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -55.83 -50.5 70.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.576 ' O ' ' CE1' ' A' ' 76' ' ' PHE . . . 156.53 -24.46 0.51 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.43 ' O ' HD12 ' A' ' 77' ' ' LEU . 56.8 m -82.66 161.63 22.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 30.1 ptt180 -100.45 142.23 32.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 -179.934 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.683 ' CD1' HG13 ' A' ' 40' ' ' VAL . 55.3 t-105 -105.69 -89.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.66 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 141.24 -98.82 0.23 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.541 1.151 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.66 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 96.3 m 82.76 -50.77 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 110.443 -179.9 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.524 HG12 ' N ' ' A' ' 87' ' ' ASP . 98.3 t 72.99 -104.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.524 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -62.29 104.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 4.6 t -86.05 63.92 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 108.233 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.4 t -102.79 -22.27 13.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.598 1.186 . . . . 0.0 110.364 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.8 m -88.92 -47.22 8.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.435 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.418 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.66 143.78 26.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.53 98.6 11.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.639 1.212 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 21.3 m -75.9 132.83 40.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 108.328 179.934 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.488 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 10.8 mt-30 -102.65 118.16 36.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.544 HG22 ' HG2' ' A' ' 36' ' ' GLN . 2.6 t -87.86 112.04 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.207 -179.916 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -161.08 177.15 37.56 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.245 HD22 ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -106.08 131.53 53.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.631 0.842 . . . . 0.0 109.346 179.939 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 26.2 t -105.33 142.09 35.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.944 -179.94 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -74.78 159.88 31.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.82 2.26 53.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.494 ' HB3' ' OD1' ' A' ' 103' ' ' ASN . . . -95.86 -18.61 20.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.94 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.53 51.58 3.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.583 1.177 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.494 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 13.3 m120 -107.83 148.53 29.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 0.71 . . . . 0.0 109.246 -179.905 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.15 97.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.586 1.179 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.8 Cg_endo -74.84 126.62 10.19 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.526 1.803 . . . . 0.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.56 122.15 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.214 -179.931 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -131.84 153.15 20.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.544 1.153 . . . . 0.0 111.017 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 108' ' ' VAL . 2.9 p -104.52 116.35 48.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.478 0.752 . . . . 0.0 109.233 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.67 90.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.496 ' HA ' HD12 ' A' ' 110' ' ' ILE . 1.1 tp -93.84 138.93 19.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.44 1.087 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.549 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.92 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.715 ' C ' HG23 ' A' ' 4' ' ' THR . 18.0 Cg_endo . . . . . 0 N--CA 1.455 -0.765 0 N-CA-C 110.921 -0.453 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.715 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.1 p 67.43 -164.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.437 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.517 ' HB1' ' CG1' ' A' ' 21' ' ' VAL . . . -78.54 125.91 30.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.16 -179.884 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -134.52 143.86 47.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.462 179.967 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.672 HG13 ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -83.94 125.19 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.377 1.048 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.747 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -29.01 -69.62 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.384 -179.96 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.747 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.92 -160.82 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.638 1.862 . . . . 0.0 111.076 179.878 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -148.72 -71.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.398 1.061 . . . . 0.0 109.948 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.8 t -111.42 150.92 29.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.604 1.19 . . . . 0.0 109.926 -179.893 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.449 ' C ' HD23 ' A' ' 13' ' ' LEU . . . 91.08 37.85 6.18 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.517 1.135 . . . . 0.0 111.155 -179.878 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.644 HD12 HG23 ' A' ' 110' ' ' ILE . 2.3 mt -90.13 153.37 20.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 16' ' ' GLY . 6.6 t -120.82 154.83 35.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.432 ' HA ' ' N ' ' A' ' 71' ' ' ARG . 1.7 t0 -58.16 79.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 124.37 38.41 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.558 1.162 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.2 m -89.19 109.02 19.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.762 . . . . 0.0 110.429 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.408 ' H ' HG23 ' A' ' 18' ' ' VAL . 2.3 t -73.64 122.69 27.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.671 HG21 HG13 ' A' ' 7' ' ' VAL . 35.7 m -140.25 160.25 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.381 1.051 . . . . 0.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -95.85 124.63 39.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.517 ' CG1' ' HB1' ' A' ' 5' ' ' ALA . 53.3 t -98.99 100.32 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.585 1.178 . . . . 0.0 109.243 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -89.22 117.8 28.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 179.898 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.482 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -111.16 135.9 13.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.361 1.038 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.82 122.42 17.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 63.95 21.89 66.09 Favored Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.404 1.065 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.657 HD13 ' HB ' ' A' ' 4' ' ' THR . 45.2 tp -85.79 -98.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.614 0.832 . . . . 0.0 109.264 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.749 ' OE1' HD12 ' A' ' 97' ' ' LEU . 1.6 mp0 -47.61 -20.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.442 1.089 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 71.93 4.57 5.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.208 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 114.07 3.56 22.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 179.886 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.11 -161.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 0.74 . . . . 0.0 110.411 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.584 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -130.23 115.32 16.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.668 ' CD2' ' N ' ' A' ' 99' ' ' ASP . 4.9 m-85 -123.41 163.9 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.461 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 3.1 t70 -90.4 118.62 30.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.734 HG22 HD22 ' A' ' 97' ' ' LEU . 90.0 t -80.61 133.87 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.591 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 176.17 154.01 11.16 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.54 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 1.5 pt20 -92.44 100.03 12.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.796 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 3.3 t -105.73 153.59 21.65 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.482 1.114 . . . . 0.0 108.293 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 178.31 170.06 0.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.0 p-90 -77.49 114.66 16.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.567 ' CG1' ' HB3' ' A' ' 46' ' ' ALA . 8.9 p -95.31 -50.06 11.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.361 179.903 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.498 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 1.6 t0 -81.64 -158.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.93 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 42' ' ' THR . 1.5 m -83.73 84.62 7.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.386 1.054 . . . . 0.0 110.431 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.13 18.8 75.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.568 HG11 HD22 ' A' ' 77' ' ' LEU . 19.2 t -104.72 113.5 41.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.574 0.808 . . . . 0.0 109.218 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.42 HD13 ' C ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -72.27 107.11 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.883 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.567 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -117.9 145.12 44.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.5 m -107.95 155.71 20.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 108.285 179.97 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.56 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -79.0 163.55 59.59 Favored Pre-proline 0 N--CA 1.451 -0.407 0 O-C-N 124.396 1.06 . . . . 0.0 109.353 179.86 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.581 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.07 -16.93 19.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.66 16.86 24.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.261 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.591 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.76 11.39 15.51 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 1.6 m-85 -104.05 91.09 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.4 ' OG ' HD21 ' A' ' 67' ' ' LEU . 11.5 t -144.16 80.3 1.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.504 1.127 . . . . 0.0 109.938 -179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.03 115.85 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.957 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.651 HG21 ' CB ' ' A' ' 65' ' ' THR . 0.4 OUTLIER -136.28 162.16 36.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.596 1.185 . . . . 0.0 109.363 179.858 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.584 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -132.42 151.91 51.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 -179.885 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 1.053 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -107.81 156.2 19.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.608 1.192 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -68.31 157.75 34.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.31 -29.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 109.297 179.93 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.7 t30 -88.77 36.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.78 37.86 1.44 Allowed Glycine 0 CA--C 1.532 1.141 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.482 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.9 OUTLIER -99.81 99.78 10.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.618 0.834 . . . . 0.0 109.956 179.971 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 1.053 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.62 77.45 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.19 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -89.71 72.15 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.104 179.914 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.651 ' CB ' HG21 ' A' ' 55' ' ' VAL . 2.8 t -109.96 157.38 19.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 -179.954 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.7 p -117.61 145.24 44.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.349 1.03 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.451 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -148.61 175.36 11.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.616 1.198 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.451 ' H ' HD13 ' A' ' 67' ' ' LEU . 16.4 m -105.18 129.97 53.45 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.561 1.163 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.622 HG11 HD12 ' A' ' 13' ' ' LEU . 19.1 t -87.67 92.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.912 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.432 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 1.3 mmt180 -86.92 74.16 9.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.483 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 1.7 ttm180 -40.02 -39.15 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.627 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 14.9 t -104.16 133.36 49.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.618 1.199 . . . . 0.0 109.944 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 72' ' ' SER . 0.4 OUTLIER 160.29 127.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.535 ' HA ' HG23 ' A' ' 86' ' ' VAL . 37.1 tt0 -82.02 106.89 14.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.676 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -93.5 -142.11 11.59 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CE2' ' HG2' ' A' ' 82' ' ' ARG . 11.1 m-85 -129.67 151.78 49.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 0.776 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.568 HD22 HG11 ' A' ' 44' ' ' VAL . 1.2 mt -90.5 177.47 6.36 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.411 1.07 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -64.08 -27.94 69.44 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.613 1.196 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.64 -60.82 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.5 -27.13 0.2 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.488 HG22 HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -42.72 157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 110.337 -179.996 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.46 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 3.9 mtp-105 -98.77 77.52 2.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.676 ' O ' ' N ' ' A' ' 75' ' ' GLY . 1.8 t90 -112.66 -83.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.657 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 55.11 130.68 0.01 OUTLIER Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 84' ' ' GLY . 1.6 m 15.83 -82.79 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.603 0.825 . . . . 0.0 110.319 -179.942 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.657 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.4 OUTLIER 88.55 -40.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 109.204 179.927 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 89' ' ' THR . 10.5 t0 -159.39 89.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.243 -179.944 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.483 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -69.13 62.04 0.12 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.386 1.054 . . . . 0.0 108.342 179.92 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 87' ' ' ASP . 14.7 t -104.26 -11.89 16.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 0.0 110.426 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.0 m -143.29 -44.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.374 1.046 . . . . 0.0 110.442 179.92 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.4 138.52 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.897 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.964 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -89.81 108.96 20.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.2 m -83.33 123.75 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.399 1.062 . . . . 0.0 108.343 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.54 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 14.3 mt-30 -90.81 111.34 22.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.148 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 3.6 t -87.14 111.58 21.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.544 ' C ' HD23 ' A' ' 97' ' ' LEU . . . -161.23 170.81 37.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.4 1.063 . . . . 0.0 111.071 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.874 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -105.87 117.5 34.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 0.729 . . . . 0.0 109.37 179.879 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.419 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 3.7 p -104.61 147.93 27.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.668 ' N ' ' CD2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -44.56 163.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 -179.942 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.9 3.41 22.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.396 1.06 . . . . 0.0 109.231 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.55 ' HB3' ' ND2' ' A' ' 103' ' ' ASN . . . -94.1 -19.19 21.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.615 1.197 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.86 52.22 2.48 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.515 1.134 . . . . 0.0 111.113 -179.871 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.55 ' ND2' ' HB3' ' A' ' 101' ' ' ALA . 6.8 p30 -149.87 164.52 35.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.48 104.36 2.0 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.475 1.109 . . . . 0.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.15 50.66 2.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.449 1.763 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.499 ' HG2' HD11 ' A' ' 26' ' ' LEU . 1.6 mt-10 -90.6 126.04 35.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.4 ' C ' ' HB3' ' A' ' 94' ' ' GLN . . . 158.58 145.83 4.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 110' ' ' ILE . 3.6 p -105.58 129.24 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.35 0.676 . . . . 0.0 109.35 179.902 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.964 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -64.45 81.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.931 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.644 HG23 HD12 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -104.97 141.17 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.9 p . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' A' ' 24' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.716 HG22 ' C ' ' A' ' 25' ' ' GLY . 42.9 p -50.78 -175.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.892 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -52.13 122.48 8.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.366 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.8 143.58 49.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.039 HG13 ' HB ' ' A' ' 19' ' ' VAL . 4.7 t -83.83 119.35 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.73 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -61.82 -67.84 0.97 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 110.484 179.899 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.813 ' HG2' HG12 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.0 52.81 3.16 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.509 1.794 . . . . 0.0 111.054 179.911 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.437 ' HA ' HD23 ' A' ' 13' ' ' LEU . 8.6 p -87.92 -2.23 58.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.935 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 12' ' ' GLY . 11.0 t -85.19 124.52 31.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.99 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 33.07 47.16 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.581 1.176 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.653 HD21 ' N ' ' A' ' 111' ' ' SER . 1.0 OUTLIER -59.85 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.43 0.724 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -136.46 153.14 51.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.007 -179.967 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.476 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 0.6 OUTLIER -63.56 82.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.975 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.52 ' C ' ' CG2' ' A' ' 68' ' ' THR . . . 121.71 32.25 1.04 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 179.916 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.492 ' C ' HG23 ' A' ' 68' ' ' THR . 1.1 m -95.38 130.44 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -73.39 115.84 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.039 ' HB ' HG13 ' A' ' 7' ' ' VAL . 20.7 m -119.85 160.32 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.612 1.195 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -109.43 118.19 36.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.235 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.892 HG12 ' HB1' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -99.92 86.46 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.944 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -120.94 132.72 55.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.512 ' HA3' ' O ' ' A' ' 4' ' ' THR . . . 177.56 -169.28 41.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.526 ' HA ' ' O ' ' A' ' 61' ' ' GLY . . . -145.79 150.05 35.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.348 -179.932 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.716 ' C ' HG22 ' A' ' 4' ' ' THR . . . 117.35 14.04 7.22 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.633 HD12 ' H ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -105.25 -141.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 0.712 . . . . 0.0 109.375 179.986 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.887 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.6 mm100 -53.78 92.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.863 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . -59.12 79.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.428 1.08 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 82.51 3.28 90.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.515 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.77 -175.18 4.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 0.747 . . . . 0.0 110.371 -179.998 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.809 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -141.67 114.45 8.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.378 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.634 ' CZ ' ' NE2' ' A' ' 27' ' ' GLN . 4.5 m-30 -116.63 179.14 4.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -96.44 113.88 25.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.175 . . . . 0.0 109.338 -179.93 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.616 HG23 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -80.69 137.89 20.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 -179.88 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.587 ' HA3' ' O ' ' A' ' 51' ' ' ASP . . . 178.44 157.97 20.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.332 1.02 . . . . 0.0 110.997 179.94 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.525 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -92.7 99.38 12.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 0.764 . . . . 0.0 110.214 -179.894 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 3.3 t -106.23 151.84 24.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.385 1.053 . . . . 0.0 108.404 179.888 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 178.38 155.14 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.425 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 34.3 p90 -57.87 110.86 0.99 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.527 1.142 . . . . 0.0 108.048 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.003 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -97.33 -42.53 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.424 1.078 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.489 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -90.4 -160.63 0.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 42' ' ' THR . 2.2 m -66.45 76.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 0.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.35 14.98 74.71 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.605 1.19 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.721 HG11 HD13 ' A' ' 77' ' ' LEU . 77.9 t -92.38 116.01 32.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.535 0.785 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.5 mt -61.99 102.42 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.003 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -114.53 136.54 52.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 28.2 m -100.85 156.54 17.31 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 108.306 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.518 HD22 ' N ' ' A' ' 48' ' ' ASN . 1.2 m-80 -84.74 165.68 36.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.602 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.08 -12.69 21.37 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.787 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.7 14.95 26.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.065 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.599 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -89.77 12.35 17.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -107.24 91.34 3.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.971 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.557 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -151.68 86.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.991 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.504 ' O ' HG23 ' A' ' 55' ' ' VAL . 6.4 t -37.26 149.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.913 ' CG2' HG21 ' A' ' 65' ' ' THR . 2.3 t -154.96 147.85 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.924 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.809 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -131.39 132.94 44.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.44 179.933 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.887 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -103.27 141.84 35.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.655 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -60.08 158.99 10.13 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.566 1.166 . . . . 0.0 109.374 179.946 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.52 -33.19 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 109.383 179.926 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' ASP . 34.1 t30 -87.88 34.73 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.78 37.19 2.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.64 1.212 . . . . 0.0 111.081 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.432 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -93.1 108.27 19.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 0.793 . . . . 0.0 110.05 179.937 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 5' ' ' ALA . . . -105.28 106.06 16.38 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 4.1 m -110.85 62.13 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.051 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.913 HG21 ' CG2' ' A' ' 55' ' ' VAL . 35.2 m -110.08 150.14 29.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.1 p -126.94 147.67 50.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.035 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.38 179.45 8.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.52 ' CG2' ' C ' ' A' ' 16' ' ' GLY . 85.4 m -105.27 128.79 53.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.473 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.727 HG11 HG21 ' A' ' 110' ' ' ILE . 19.4 t -86.73 89.38 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.851 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.509 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -86.96 66.61 9.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.353 179.957 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.426 ' HD2' ' CA ' ' A' ' 89' ' ' THR . 21.1 ttp180 -39.18 -37.27 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.476 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 4.7 p -80.88 124.53 29.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 110.047 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.531 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 167.52 171.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 179.978 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.496 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 8.6 tt0 -81.04 122.41 27.28 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.479 1.112 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.73 150.86 40.31 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.416 1.073 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 2.4 t80 -136.02 113.53 10.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.743 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.85 HD21 ' HB2' ' A' ' 83' ' ' TRP . 3.2 mt -55.18 152.93 7.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -80.01 -29.57 39.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.363 1.04 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -48.11 79.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.34 -27.32 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.558 ' HB ' HD12 ' A' ' 77' ' ' LEU . 11.6 m -78.67 163.39 25.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 110.403 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -117.78 146.52 43.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.85 ' HB2' HD21 ' A' ' 77' ' ' LEU . 66.1 t-105 -101.82 -86.96 0.41 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.494 1.121 . . . . 0.0 108.001 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.597 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 135.41 -113.81 1.15 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.732 ' C ' HG23 ' A' ' 86' ' ' VAL . 4.3 m 89.31 -63.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.609 0.829 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.732 HG23 ' C ' ' A' ' 85' ' ' THR . 2.7 t 84.82 -14.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -141.54 96.92 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 14.7 t -82.1 54.18 2.44 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.467 1.104 . . . . 0.0 108.33 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.426 ' CA ' ' HD2' ' A' ' 71' ' ' ARG . 7.0 t -96.34 -13.26 23.41 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.912 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 91' ' ' ALA . 9.8 t -88.36 -54.32 4.25 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.395 1.06 . . . . 0.0 110.506 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.519 ' N ' HG23 ' A' ' 90' ' ' THR . . . -91.79 136.07 33.43 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 179.862 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.425 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -68.43 116.58 9.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.459 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -88.28 126.25 35.08 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.435 1.084 . . . . 0.0 108.264 -179.965 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 29.9 mt-30 -105.98 120.75 42.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.381 1.051 . . . . 0.0 110.235 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.719 HG21 HG12 ' A' ' 110' ' ' ILE . 1.7 t -89.43 111.43 22.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -157.19 172.93 34.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.713 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -106.37 122.26 45.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.4 m -87.91 159.3 18.41 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.561 ' CG ' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.78 166.51 20.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.583 1.177 . . . . 0.0 109.377 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.99 8.29 15.73 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -99.74 -63.61 1.11 Allowed 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.1 40.89 0.07 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.563 1.164 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.431 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 0.4 OUTLIER -151.69 132.5 14.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 0.724 . . . . 0.0 109.388 179.862 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 146.33 73.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.902 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 0.03 9.42 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.544 1.813 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.23 138.44 55.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.9 143.13 5.68 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.418 1.074 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.769 HG13 HD13 ' A' ' 110' ' ' ILE . 2.8 p -68.76 128.97 33.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.574 0.808 . . . . 0.0 109.191 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.6 98.87 0.92 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.935 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.807 HD11 ' CB ' ' A' ' 7' ' ' VAL . 0.6 OUTLIER -84.58 129.9 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.653 ' N ' HD21 ' A' ' 13' ' ' LEU . 1.9 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.371 1.044 . . . . 0.0 110.091 179.952 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.803 0 N-CA-C 110.945 -0.444 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.96 ' O ' HG23 ' A' ' 6' ' ' THR . 19.2 p 40.11 -154.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.518 ' HA ' ' CA ' ' A' ' 23' ' ' GLY . . . -45.74 132.69 8.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.96 HG23 ' O ' ' A' ' 4' ' ' THR . 50.4 p -139.47 166.57 24.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 110.351 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.634 HG13 ' HD2' ' A' ' 9' ' ' PRO . 2.5 t -120.08 121.55 66.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.232 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.717 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -32.74 -67.66 0.18 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.473 179.907 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.966 ' HG3' HG11 ' A' ' 19' ' ' VAL . 18.6 Cg_endo -74.87 -162.0 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 179.913 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -139.45 -43.19 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.923 -179.974 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 111' ' ' SER . 58.3 m -64.43 73.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 10' ' ' SER . . . -49.65 -32.1 16.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -76.45 69.26 2.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.665 ' O ' ' C ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -132.41 78.84 1.83 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.501 1.126 . . . . 0.0 109.871 -179.932 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.665 ' C ' ' O ' ' A' ' 14' ' ' SER . 10.4 p-10 15.88 63.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.49 ' O ' ' CG2' ' A' ' 68' ' ' THR . . . 52.59 69.47 1.18 Allowed Glycine 0 CA--C 1.532 1.153 0 O-C-N 124.582 1.176 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.506 HG22 HG12 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -71.69 136.77 47.39 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.668 0.864 . . . . 0.0 110.324 -179.928 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.786 HG22 HG23 ' A' ' 68' ' ' THR . 1.8 t -104.01 119.61 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.966 HG11 ' HG3' ' A' ' 9' ' ' PRO . 5.1 m -144.64 -166.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.617 1.198 . . . . 0.0 109.307 179.914 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.64 141.64 35.69 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.61 ' HA ' ' O ' ' A' ' 6' ' ' THR . 10.5 t -113.18 85.31 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.4 129.9 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.518 ' CA ' ' HA ' ' A' ' 5' ' ' ALA . . . -121.29 122.08 5.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.68 101.44 12.62 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.594 0.82 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.536 ' O ' ' O ' ' A' ' 26' ' ' LEU . . . 96.57 38.16 4.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.414 1.071 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.964 HD13 ' HB3' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -56.88 -140.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.752 . . . . 0.0 109.215 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.586 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 8.4 tp-100 -82.38 40.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 74.93 -9.7 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 109.241 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.746 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 120.47 8.16 8.58 Favored Glycine 0 CA--C 1.527 0.804 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.66 HG22 ' H ' ' A' ' 31' ' ' ALA . 4.3 m -60.35 -152.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.373 0.69 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.66 ' H ' HG22 ' A' ' 30' ' ' THR . . . -137.57 136.91 38.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.909 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 5.6 m-30 -150.68 -178.52 6.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 24.6 t70 -102.1 111.25 23.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.602 1.189 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.784 HG23 HD23 ' A' ' 97' ' ' LEU . 1.1 t -76.12 143.08 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 0.0 109.351 179.917 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.616 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 168.92 161.21 18.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.515 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -95.06 103.43 15.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 0.711 . . . . 0.0 110.271 179.905 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 3.6 t -107.16 154.42 21.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.618 1.199 . . . . 0.0 108.358 179.844 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.491 ' HB1' ' O ' ' A' ' 92' ' ' ALA . . . 176.19 159.65 0.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.497 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 21.4 p-90 -59.07 98.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.995 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -82.75 -47.61 18.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.704 ' HB2' HD11 ' A' ' 77' ' ' LEU . 7.7 t0 -91.02 -150.21 0.23 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.147 . . . . 0.0 109.357 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.5 m -77.34 88.84 3.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 179.944 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.59 24.27 63.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.89 ' CG1' HD12 ' A' ' 77' ' ' LEU . 47.6 t -103.75 100.99 11.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.523 0.779 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.79 87.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.995 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -100.13 153.1 19.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.869 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 3.8 m -113.62 151.36 31.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 108.326 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.545 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -75.86 170.12 17.4 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.59 1.181 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.638 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.91 -11.28 21.65 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.521 1.801 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.23 14.22 25.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.616 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -89.22 8.31 30.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.638 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -107.45 94.86 5.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.641 1.213 . . . . 0.0 111.08 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.851 ' CB ' HD11 ' A' ' 67' ' ' LEU . 4.4 t -150.9 85.76 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.896 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -48.88 142.43 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.632 1.207 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.797 HG21 ' HB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -164.69 173.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.611 1.194 . . . . 0.0 109.27 179.958 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.646 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -145.07 158.28 43.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 179.988 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.862 ' HB2' HD22 ' A' ' 26' ' ' LEU . . . -104.93 149.59 25.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.376 1.048 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.9 OUTLIER -68.24 159.26 31.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.61 -37.39 0.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.378 -179.956 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -87.34 38.39 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.334 1.021 . . . . 0.0 109.228 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.38 41.0 2.87 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.492 1.12 . . . . 0.0 110.867 179.872 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 53.5 m -103.96 98.3 8.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.964 ' HB3' HD13 ' A' ' 26' ' ' LEU . . . -104.33 96.63 6.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 p -106.11 77.78 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.797 ' HB ' HG21 ' A' ' 55' ' ' VAL . 5.7 t -108.38 130.53 55.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.284 -179.924 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.0 p -91.68 131.81 36.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.064 . . . . 0.0 110.079 179.877 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.851 HD11 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -149.41 179.79 7.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 -179.957 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.786 HG23 HG22 ' A' ' 18' ' ' VAL . 22.8 m -105.91 132.15 52.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.421 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.707 ' O ' HG13 ' A' ' 69' ' ' VAL . 7.7 p -89.95 85.44 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -92.83 118.34 31.0 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.364 1.04 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.684 ' HD2' HG22 ' A' ' 89' ' ' THR . 42.1 ttp180 -90.04 -33.93 16.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.582 1.176 . . . . 0.0 110.386 179.956 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.561 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 83.3 p -96.08 114.98 26.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.609 1.193 . . . . 0.0 109.96 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -177.86 165.96 2.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.545 1.153 . . . . 0.0 110.885 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.427 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 0.8 OUTLIER -81.11 110.27 16.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.605 1.191 . . . . 0.0 110.227 -179.951 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.45 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -80.22 161.82 45.53 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.602 1.189 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 42.7 m-85 -130.37 133.28 46.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 111.041 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.89 HD12 ' CG1' ' A' ' 44' ' ' VAL . 1.1 mm? -71.27 138.71 49.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.391 1.057 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.69 -25.78 65.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 179.891 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -52.93 -53.7 45.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.629 1.205 . . . . 0.0 109.345 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.36 -26.43 0.35 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.2 m -84.24 166.53 17.44 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.577 0.81 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 3.8 ptp180 -110.02 141.48 42.77 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.583 1.177 . . . . 0.0 110.192 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.864 ' HB2' HD21 ' A' ' 77' ' ' LEU . 37.7 t-105 -103.37 -89.98 0.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.487 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 148.38 -77.64 0.24 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.434 1.084 . . . . 0.0 111.079 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.814 ' CB ' HG22 ' A' ' 40' ' ' VAL . 7.5 m 67.7 -55.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 0.0 110.369 179.901 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.562 HG12 ' N ' ' A' ' 87' ' ' ASP . 88.7 t 71.68 -104.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.562 ' N ' HG12 ' A' ' 86' ' ' VAL . 1.1 t0 -59.07 91.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.401 179.93 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 52.6 t -75.57 59.85 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 108.277 -179.9 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.684 HG22 ' HD2' ' A' ' 71' ' ' ARG . 54.8 p -102.81 -15.92 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 -179.931 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.534 HG23 ' N ' ' A' ' 91' ' ' ALA . 9.1 t -88.96 -55.06 3.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.432 179.909 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.534 ' N ' HG23 ' A' ' 90' ' ' THR . . . -91.42 135.5 33.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.491 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -72.43 118.71 15.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.344 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.46 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -90.64 121.98 33.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 0.0 108.267 179.927 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.503 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 3.3 pt20 -103.15 122.13 44.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.515 HG22 ' HG2' ' A' ' 36' ' ' GLN . 1.9 t -87.86 114.34 26.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.6 179.15 39.5 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.572 1.17 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.784 HD23 HG23 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -106.45 125.9 51.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 0.72 . . . . 0.0 109.34 179.919 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 99.1 p -85.12 154.23 22.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.598 1.186 . . . . 0.0 109.961 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.594 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -88.82 162.35 16.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.97 14.34 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.93 -84.84 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.422 ' C ' ' ND2' ' A' ' 103' ' ' ASN . . . 174.15 47.54 0.05 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.422 ' ND2' ' C ' ' A' ' 102' ' ' GLY . 0.3 OUTLIER -137.33 157.38 46.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.43 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -136.91 62.03 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.444 1.09 . . . . 0.0 111.062 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.5 Cg_endo -74.86 -37.89 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.438 ' HG2' ' CD1' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -85.53 147.53 26.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.227 -179.868 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.95 119.7 2.09 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 8.5 p -106.18 122.45 59.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.78 88.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.921 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.514 ' O ' ' CB ' ' A' ' 111' ' ' SER . 2.4 tp -92.1 160.24 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 109.953 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.77 ' HB ' HD23 ' A' ' 26' ' ' LEU . 1.2 p 45.43 -170.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.455 179.944 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.406 ' N ' ' HA2' ' A' ' 23' ' ' GLY . . . -65.26 111.01 2.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.098 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.404 HG22 HG21 ' A' ' 108' ' ' VAL . 1.0 OUTLIER -149.13 146.96 27.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 110.431 -179.958 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.895 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.0 t -74.43 135.74 26.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.479 1.112 . . . . 0.0 109.214 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.545 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -41.93 -59.37 2.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.402 179.967 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.015 ' HG3' HG11 ' A' ' 19' ' ' VAL . 18.0 Cg_endo -74.92 -160.34 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.534 1.808 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 111' ' ' SER . 0.6 OUTLIER -137.99 -45.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.456 ' HA ' ' HB3' ' A' ' 111' ' ' SER . 0.5 OUTLIER -71.72 59.81 0.34 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.447 1.092 . . . . 0.0 110.019 179.966 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -46.31 -29.06 3.52 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.62 1.2 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.913 HD23 ' O ' ' A' ' 111' ' ' SER . 2.2 pp -59.93 77.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.569 0.805 . . . . 0.0 109.346 179.915 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.573 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -150.33 130.26 13.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 110.106 -179.983 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -35.84 92.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 38.73 67.26 0.57 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.504 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.3 OUTLIER -70.78 123.33 21.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.741 . . . . 0.0 110.363 179.976 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -92.53 115.94 32.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.015 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -142.32 -171.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.403 1.065 . . . . 0.0 109.309 179.943 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 6.9 pttt -115.3 132.54 56.58 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.647 1.217 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -106.66 104.84 17.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.936 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -87.43 131.11 34.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.224 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -118.81 75.44 0.3 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.25 130.22 35.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.403 0.707 . . . . 0.0 109.246 -179.916 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 55.5 35.72 62.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.588 1.18 . . . . 0.0 111.057 -179.951 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.77 HD23 ' HB ' ' A' ' 4' ' ' THR . 3.3 tm? -106.65 -96.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.75 HE21 HD12 ' A' ' 97' ' ' LEU . 1.3 tp-100 -47.89 -22.15 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.618 1.199 . . . . 0.0 110.393 179.951 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 74.53 -2.27 2.86 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.368 1.043 . . . . 0.0 109.41 -179.92 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 120.69 -2.91 12.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.418 1.074 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.518 HG22 ' H ' ' A' ' 31' ' ' ALA . 1.7 m -67.44 -155.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 0.815 . . . . 0.0 110.436 -179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.527 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -138.9 114.81 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.392 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.627 ' CD1' ' CG ' ' A' ' 27' ' ' GLN . 8.4 m-85 -131.11 152.5 50.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.549 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 1.2 t70 -96.66 128.49 43.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.584 HG23 ' CD2' ' A' ' 97' ' ' LEU . 2.2 p -76.58 141.73 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.653 1.221 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.95 109.79 0.26 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.42 1.075 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.612 HE21 ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -60.85 102.98 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -104.66 152.32 22.62 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.523 1.139 . . . . 0.0 108.271 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.487 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 177.62 157.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.382 1.051 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.541 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 34.6 p-90 -61.86 85.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.051 HG22 ' CG2' ' A' ' 85' ' ' THR . 0.3 OUTLIER -77.52 -48.15 24.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.489 1.118 . . . . 0.0 109.194 -179.91 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.551 ' HB3' HG23 ' A' ' 44' ' ' VAL . 6.0 t0 -74.36 -151.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.935 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.722 ' O ' HG23 ' A' ' 42' ' ' THR . 12.0 t -84.97 60.66 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 110.459 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.66 10.37 53.21 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.785 HG11 HD23 ' A' ' 77' ' ' LEU . 2.8 t -97.71 114.33 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.32 89.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.615 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -95.93 140.48 30.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 31.4 m -97.82 153.24 18.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.609 1.193 . . . . 0.0 108.299 179.938 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.612 ' CB ' HE21 ' A' ' 36' ' ' GLN . 1.9 m-80 -94.03 122.45 61.82 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.421 179.958 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.495 ' CD ' ' O ' ' A' ' 74' ' ' GLU . 18.1 Cg_endo -74.93 6.25 3.47 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.549 1.815 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.77 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . . . -105.72 4.14 29.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.213 179.99 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.553 ' HB2' ' CD ' ' A' ' 36' ' ' GLN . 14.1 t70 -127.07 15.34 7.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 2.9 m-85 -82.73 111.53 18.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 111.062 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.476 ' HB3' HG12 ' A' ' 34' ' ' VAL . 4.7 t -153.01 99.13 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.92 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.549 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 63.4 p -58.8 132.15 53.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 110.048 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.611 HG21 ' OG1' ' A' ' 65' ' ' THR . 47.3 t -152.45 164.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.241 -179.904 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.527 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -130.72 162.8 28.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 1.017 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -107.55 154.01 22.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.24 179.958 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -77.34 159.06 29.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.612 1.195 . . . . 0.0 109.327 -179.902 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.94 -27.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.934 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.464 ' N ' ' C ' ' A' ' 58' ' ' ASP . 1.4 t-20 -88.1 32.25 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.648 1.217 . . . . 0.0 109.359 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.05 44.23 5.78 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.463 1.102 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -110.53 101.64 10.3 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.535 0.785 . . . . 0.0 110.011 -179.991 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 1.017 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.52 93.9 4.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.8 p -94.9 87.71 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 110.047 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.624 HG21 HD22 ' A' ' 97' ' ' LEU . 14.4 t -105.85 119.3 38.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.38 1.05 . . . . 0.0 110.44 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 6.2 p -102.95 136.4 42.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.884 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.761 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -168.25 179.94 4.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.416 1.072 . . . . 0.0 109.254 179.926 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.761 ' H ' HD13 ' A' ' 67' ' ' LEU . 12.5 t -102.04 139.39 37.73 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.601 1.188 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 17' ' ' THR . 3.4 p -88.04 88.48 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.581 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -88.79 101.04 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.24 -179.919 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 88' ' ' CYS . 5.7 ttm-85 -81.18 -24.17 37.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 62.0 p -95.26 106.08 18.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.77 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER 175.43 170.49 0.33 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.566 1.166 . . . . 0.0 111.077 -179.964 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.495 ' O ' ' CD ' ' A' ' 49' ' ' PRO . 3.4 tt0 -79.27 128.23 33.05 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.629 1.206 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.37 160.11 41.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -118.11 103.6 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 0.795 . . . . 0.0 110.893 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.785 HD23 HG11 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -83.9 175.95 9.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.405 1.066 . . . . 0.0 109.359 179.897 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -90.21 -33.49 16.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.398 1.061 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -97.34 -24.23 15.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 -179.974 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.547 ' O ' ' C ' ' A' ' 81' ' ' THR . . . -142.75 58.36 0.55 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.58 1.175 . . . . 0.0 111.047 179.881 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.653 HG23 ' H ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -25.49 -93.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 110.429 -179.904 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.653 ' H ' HG23 ' A' ' 81' ' ' THR . 3.9 ptm180 -53.2 84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.599 ' CB ' HD13 ' A' ' 77' ' ' LEU . 14.4 t-105 -96.46 -87.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 107.971 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 161.41 -114.14 0.6 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.582 1.176 . . . . 0.0 111.055 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 1.051 ' CG2' HG22 ' A' ' 40' ' ' VAL . 6.7 m 83.55 -57.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.453 0.737 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 87' ' ' ASP . 96.1 t 70.86 -103.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.557 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -66.01 105.79 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.392 1.057 . . . . 0.0 109.385 179.939 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.512 ' O ' ' CD ' ' A' ' 71' ' ' ARG . 4.0 t -89.59 64.39 6.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 108.405 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.79 -8.3 19.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.855 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.5 m -89.3 -56.9 3.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.272 0.982 . . . . 0.0 110.376 -179.947 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.5 139.09 31.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.561 1.163 . . . . 0.0 109.37 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.83 114.73 9.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.931 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.487 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -84.72 125.09 32.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 108.26 179.982 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.4 pt20 -104.93 119.17 38.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.529 HG22 ' HB3' ' A' ' 36' ' ' GLN . 3.4 t -89.05 129.59 39.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.491 ' C ' HD23 ' A' ' 97' ' ' LEU . . . -171.75 173.48 45.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.395 1.059 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.75 HD12 HE21 ' A' ' 27' ' ' GLN . 0.1 OUTLIER -103.27 124.78 49.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.434 0.726 . . . . 0.0 109.236 -179.952 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.457 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 27.7 p -105.12 162.85 13.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.491 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -95.27 161.27 14.17 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.554 1.159 . . . . 0.0 109.19 -179.939 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.87 16.56 7.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.482 ' HB3' ' OD1' ' A' ' 103' ' ' ASN . . . -105.96 -24.94 12.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.28 54.15 2.04 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.596 1.185 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.482 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 17.4 m120 -116.47 148.09 41.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.586 0.816 . . . . 0.0 109.284 -179.921 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.22 98.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.055 179.894 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.438 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 18.5 Cg_endo -74.99 140.1 25.1 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.792 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.504 ' CB ' HD21 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -91.12 114.86 27.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.98 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -137.32 150.29 20.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.572 1.17 . . . . 0.0 110.948 -179.891 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 1.6 p -104.71 131.58 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.391 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.6 97.74 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.379 1.05 . . . . 0.0 109.215 -179.911 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.453 ' CG1' ' HA3' ' A' ' 12' ' ' GLY . 6.6 tp -69.17 157.41 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.913 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.559 0 O-C-N 124.471 1.107 . . . . 0.0 110.062 179.905 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.433 ' C ' HG23 ' A' ' 4' ' ' THR . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.511 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.3 p 53.33 -159.11 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.447 ' HB2' HD22 ' A' ' 26' ' ' LEU . . . -69.84 125.57 27.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.401 ' HA ' ' HB ' ' A' ' 108' ' ' VAL . 1.2 p -150.46 146.73 26.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.35 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.728 HG13 HG21 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -75.59 130.66 35.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.378 179.935 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.819 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -37.37 -73.09 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.362 -179.959 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.819 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.87 -98.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.412 1.743 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.431 ' O ' HG13 ' A' ' 110' ' ' ILE . 7.6 m -154.91 -26.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.89 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.543 ' CB ' HG21 ' A' ' 69' ' ' VAL . 1.2 m 49.01 -175.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.52 ' HA3' HG23 ' A' ' 110' ' ' ILE . . . 86.34 -43.49 3.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.427 1.079 . . . . 0.0 110.973 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -44.56 -32.63 1.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 0.783 . . . . 0.0 109.387 -179.969 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.4 t -132.03 122.78 26.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.656 1.222 . . . . 0.0 110.024 179.909 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.435 ' C ' ' HA ' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -65.31 63.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 160.09 32.45 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.563 1.165 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 m -89.44 110.17 21.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 0.721 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 t -90.0 119.11 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.217 -179.955 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.728 HG21 HG13 ' A' ' 7' ' ' VAL . 34.5 m -138.22 -177.99 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.919 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -103.41 130.77 50.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.483 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.5 t -107.38 98.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.232 -179.919 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.55 131.36 36.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.511 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -116.76 98.49 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.339 1.025 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.24 108.48 19.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.78 . . . . 0.0 109.238 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.39 34.39 45.53 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.51 1.131 . . . . 0.0 111.071 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.058 HD21 HD11 ' A' ' 97' ' ' LEU . 4.6 tp -61.52 -120.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.584 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 1.3 tp60 -79.89 24.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 76.3 -11.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 179.874 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.684 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 129.62 -2.26 6.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 -179.91 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.488 HG22 ' H ' ' A' ' 31' ' ' ALA . 1.5 m -59.05 -156.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 0.709 . . . . 0.0 110.347 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.488 ' H ' HG22 ' A' ' 30' ' ' THR . . . -131.49 144.31 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 109.427 179.801 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.972 ' OH ' HD23 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -151.61 -173.02 4.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.939 -179.951 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.509 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 22.2 t0 -106.7 108.5 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.918 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.654 HG23 ' HB3' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -79.68 142.08 14.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.927 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.614 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 167.28 161.01 15.59 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.6 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -95.04 102.03 13.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 0.787 . . . . 0.0 110.259 -179.995 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 3.8 t -107.06 154.71 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 108.338 179.908 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.48 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 179.03 164.69 0.88 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.921 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.405 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 56.1 p-90 -72.55 115.08 11.39 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.914 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.718 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -99.9 -47.43 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.183 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.614 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.2 OUTLIER -87.49 -165.35 1.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.949 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 44' ' ' VAL . 21.8 m -59.35 87.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.43 20.83 31.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.556 1.16 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.635 HG11 HD13 ' A' ' 77' ' ' LEU . 61.4 t -95.72 116.41 37.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.79 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.9 108.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.818 ' HB2' HD23 ' A' ' 77' ' ' LEU . . . -121.26 134.66 55.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.1 m -99.34 155.92 17.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 108.233 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 73' ' ' PHE . 1.5 m120 -83.75 167.61 27.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.4 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.66 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.03 -12.41 21.45 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.451 1.764 . . . . 0.0 111.059 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.13 13.72 27.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.604 1.19 . . . . 0.0 109.223 179.991 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.614 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -89.62 7.26 37.42 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.574 1.171 . . . . 0.0 109.366 179.869 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.66 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.7 m-85 -106.51 91.51 3.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.429 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -149.58 90.86 1.75 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.528 1.142 . . . . 0.0 109.97 -179.911 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.0 p -48.64 121.63 4.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.735 HG12 ' HE1' ' A' ' 32' ' ' TYR . 19.0 t -136.75 149.47 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.207 179.956 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.472 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -130.35 157.95 41.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.367 -179.926 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.684 ' HB3' ' HA2' ' A' ' 29' ' ' GLY . . . -105.5 148.25 27.42 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.639 ' O ' ' N ' ' A' ' 61' ' ' GLY . 1.4 m-20 -64.28 161.37 16.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.89 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.78 -37.71 0.36 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.498 1.123 . . . . 0.0 109.37 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -88.08 37.39 0.81 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.417 1.073 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.28 43.01 3.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -108.98 102.66 11.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.897 -179.885 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.587 ' HB2' ' OH ' ' A' ' 32' ' ' TYR . . . -105.76 93.84 4.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.23 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.9 p -102.27 71.89 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 179.964 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.599 HG21 HG22 ' A' ' 55' ' ' VAL . 85.7 m -109.14 136.27 48.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.2 p -98.47 135.71 39.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.079 -179.973 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.31 170.01 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.446 HG21 ' NH1' ' A' ' 70' ' ' ARG . 9.7 t -102.67 123.84 47.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 110.414 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.675 ' CG1' HG21 ' A' ' 110' ' ' ILE . 46.0 t -89.19 89.29 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 109.212 -179.901 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.685 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 2.9 mtt85 -98.28 74.69 2.22 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.573 1.17 . . . . 0.0 110.29 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.539 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -38.06 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.978 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.502 ' C ' ' CG ' ' A' ' 73' ' ' PHE . 3.2 m -89.42 136.2 33.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.073 179.908 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.685 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 162.87 178.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.06 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.613 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 30.4 tt0 -93.25 105.51 17.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.388 1.055 . . . . 0.0 110.282 -179.852 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.76 161.57 48.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.577 1.173 . . . . 0.0 111.081 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.613 ' CE2' ' O ' ' A' ' 74' ' ' GLU . 10.8 m-85 -142.19 131.81 23.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 0.717 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.138 HD12 HG23 ' A' ' 81' ' ' THR . 21.2 mt -69.8 148.52 49.01 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -76.12 -24.27 54.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.67 -50.23 68.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.263 -179.863 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.76 -25.07 0.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 1.138 HG23 HD12 ' A' ' 77' ' ' LEU . 2.5 t -87.46 154.77 20.38 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.551 0.795 . . . . 0.0 110.463 179.889 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.57 148.16 26.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.397 1.061 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.718 ' CD1' HG13 ' A' ' 40' ' ' VAL . 41.4 t-105 -106.43 -85.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 108.002 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.503 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 127.3 -74.58 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.945 ' O ' HG22 ' A' ' 86' ' ' VAL . 1.6 m 68.29 -59.21 0.45 Allowed 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.456 0.739 . . . . 0.0 110.472 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.945 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 82.6 -24.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.389 1.056 . . . . 0.0 109.175 179.85 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.757 ' H ' HG22 ' A' ' 85' ' ' THR . 13.2 t0 -144.25 105.8 4.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.959 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 7.8 t -91.22 50.6 1.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 108.291 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.8 m -89.29 -16.09 31.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.447 179.977 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.4 m -87.03 -52.05 5.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.382 1.051 . . . . 0.0 110.538 179.841 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.431 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.44 144.04 26.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.51 111.38 13.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 179.934 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.48 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -84.83 123.48 30.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 108.319 179.959 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 6.0 mt-30 -99.83 120.84 40.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.6 HG22 ' HG2' ' A' ' 36' ' ' GLN . 5.3 t -89.26 109.32 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.921 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -161.71 178.72 37.47 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.643 1.215 . . . . 0.0 111.052 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.058 HD11 HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -106.57 148.1 28.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.935 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.6 p -103.68 149.05 25.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.092 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.62 164.15 18.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.222 -179.819 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.08 23.29 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.1 -40.75 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 -179.933 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.471 ' C ' ' ND2' ' A' ' 103' ' ' ASN . . . 123.86 46.52 0.26 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.425 1.078 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.471 ' ND2' ' C ' ' A' ' 102' ' ' GLY . 0.2 OUTLIER -143.47 153.78 42.98 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.572 0.807 . . . . 0.0 109.284 179.915 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.476 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -139.75 59.76 0.58 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.431 1.082 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.6 Cg_endo -74.91 -22.64 14.8 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.437 1.756 . . . . 0.0 111.007 179.913 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.588 ' HG2' HD11 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -86.95 152.06 22.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.398 179.923 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 144.72 115.6 1.01 Allowed Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.715 HG11 ' H ' ' A' ' 7' ' ' VAL . 8.2 p -82.48 132.99 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.397 0.704 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.26 92.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.675 HG21 ' CG1' ' A' ' 69' ' ' VAL . 0.9 OUTLIER -76.73 146.45 8.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.377 1.048 . . . . 0.0 109.379 179.945 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.2 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.087 -179.883 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.459 ' C ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.459 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.9 p 57.93 -169.49 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 110.415 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.523 ' HB2' HD13 ' A' ' 26' ' ' LEU . . . -55.83 104.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.45 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.426 HG22 ' CG2' ' A' ' 108' ' ' VAL . 1.1 p -140.17 148.79 42.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.178 . . . . 0.0 110.438 -179.904 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.744 HG13 HG21 ' A' ' 19' ' ' VAL . 3.6 t -80.57 126.57 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.796 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -30.95 -71.33 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 -179.96 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.913 ' CG ' HG11 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.0 -162.65 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 110.947 -179.907 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.449 ' O ' HD13 ' A' ' 110' ' ' ILE . 78.7 p -132.64 -45.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.872 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 111' ' ' SER . 3.4 m -69.72 62.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.371 1.045 . . . . 0.0 110.065 179.937 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.495 ' HA3' HG23 ' A' ' 110' ' ' ILE . . . -58.16 -12.33 11.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.586 1.179 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.88 ' O ' HD12 ' A' ' 13' ' ' LEU . 3.9 pp -69.0 59.07 0.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.508 0.77 . . . . 0.0 109.193 -179.876 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -131.26 123.11 27.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 109.933 -179.955 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 14' ' ' SER . 4.9 m-20 -33.12 93.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 45.54 69.29 0.81 Allowed Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.605 1.19 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.476 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -78.55 125.43 29.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 0.811 . . . . 0.0 110.429 179.947 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.558 HG13 ' OG1' ' A' ' 68' ' ' THR . 0.5 OUTLIER -91.05 117.11 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.913 HG11 ' CG ' ' A' ' 9' ' ' PRO . 7.6 m -139.87 -176.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.225 -179.935 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -117.32 130.49 56.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.398 179.97 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.463 HG22 HG22 ' A' ' 7' ' ' VAL . 67.9 t -100.35 102.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.387 1.054 . . . . 0.0 109.313 -179.923 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.13 124.51 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.918 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.488 ' HA2' ' N ' ' A' ' 5' ' ' ALA . . . -110.68 67.71 0.22 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.606 1.191 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.57 131.67 41.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 70.97 18.27 76.17 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.495 1.122 . . . . 0.0 111.06 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.523 HD13 ' HB2' ' A' ' 5' ' ' ALA . 1.4 tp -74.43 -145.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.443 0.731 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.518 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 2.9 mm100 -89.89 78.14 6.85 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.436 1.085 . . . . 0.0 110.175 -179.937 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.706 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . -59.36 133.48 56.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.622 1.201 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.93 -26.84 8.93 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.936 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.433 ' O ' ' OG1' ' A' ' 56' ' ' THR . 0.1 OUTLIER -89.83 -179.19 5.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.429 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.861 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -153.83 146.47 24.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.382 1.051 . . . . 0.0 109.361 179.929 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 16.6 m-85 -149.51 178.48 8.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 14.7 t0 -105.66 118.53 36.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.782 HG21 HG21 ' A' ' 65' ' ' THR . 1.5 t -81.2 146.58 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.627 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 177.86 162.39 27.76 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.882 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -94.21 88.89 5.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 0.731 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 5.3 t -105.74 152.79 22.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.391 1.057 . . . . 0.0 108.195 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -178.39 170.13 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.395 179.953 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -86.72 115.22 24.03 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.023 HG21 ' CZ2' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -102.61 -49.77 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.505 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -85.03 -176.77 6.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.405 1.066 . . . . 0.0 109.267 -179.977 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 44' ' ' VAL . 21.2 m -48.66 93.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.383 179.935 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 50.36 20.2 3.44 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.719 HG11 HD13 ' A' ' 77' ' ' LEU . 88.4 t -91.86 112.13 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.366 0.686 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 0.3 OUTLIER -77.44 103.72 7.54 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.521 1.138 . . . . 0.0 109.208 -179.931 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.648 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . . . -115.07 142.65 46.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.3 m -107.81 147.57 30.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.611 1.194 . . . . 0.0 108.271 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.503 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -79.37 172.65 9.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.383 179.958 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.549 ' CD ' ' HB3' ' A' ' 73' ' ' PHE . 18.2 Cg_endo -74.93 -15.91 20.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.27 15.2 28.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.978 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.627 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.1 t70 -90.26 15.49 10.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 12.8 m-85 -109.68 102.29 11.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.567 1.167 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.41 ' HB3' HG12 ' A' ' 34' ' ' VAL . 7.9 t -148.68 79.29 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.027 179.956 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.447 ' N ' ' OD2' ' A' ' 33' ' ' ASP . 99.6 p -55.76 126.37 25.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.936 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.753 HG21 ' HB ' ' A' ' 65' ' ' THR . 9.7 p -154.43 172.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.07 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.861 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -139.22 168.5 19.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.375 -179.964 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -105.54 129.4 53.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.416 1.072 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -66.43 154.31 40.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -40.33 -29.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.252 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.439 ' N ' ' C ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -87.33 32.8 0.69 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.942 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.706 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . . . 39.4 43.14 2.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 111.059 -179.917 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.465 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -115.76 105.76 13.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.538 0.787 . . . . 0.0 109.97 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.427 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . . . -106.14 81.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.951 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.3 p -91.46 87.7 6.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.587 1.179 . . . . 0.0 110.06 179.914 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.782 HG21 HG21 ' A' ' 34' ' ' VAL . 1.9 t -108.15 125.38 51.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.4 p -88.7 134.13 34.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.4 1.063 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.857 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -153.86 168.41 26.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.573 1.17 . . . . 0.0 109.309 -179.938 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.857 ' H ' HD13 ' A' ' 67' ' ' LEU . 63.8 m -106.6 140.88 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 179.956 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' THR . 39.2 t -88.74 80.05 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -88.25 63.33 7.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 28.4 ttp180 -43.63 -29.43 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 110.305 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -96.42 128.22 43.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 110.064 179.97 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.549 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 162.21 172.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.568 1.167 . . . . 0.0 110.973 -179.964 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.505 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 15.1 tt0 -85.62 115.58 23.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.388 1.055 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.63 ' C ' ' HB3' ' A' ' 83' ' ' TRP . . . -90.16 177.7 42.94 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.631 1.207 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.482 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 6.0 m-85 -146.92 149.49 33.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.59 0.817 . . . . 0.0 111.099 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.029 HD12 ' HB ' ' A' ' 81' ' ' THR . 12.6 mt -90.41 157.31 17.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -90.75 -23.92 20.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.072 -179.968 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -63.53 -49.72 72.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.9 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.81 -28.0 0.22 Allowed Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.441 1.088 . . . . 0.0 111.046 -179.952 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 1.029 ' HB ' HD12 ' A' ' 77' ' ' LEU . 57.5 m -75.52 172.3 12.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.61 0.829 . . . . 0.0 110.475 179.95 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.511 ' N ' HG22 ' A' ' 81' ' ' THR . 0.0 OUTLIER -106.12 157.51 17.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 1.023 ' CZ2' HG21 ' A' ' 40' ' ' VAL . 2.8 t90 -103.85 -89.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 108.084 179.909 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.705 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 96.57 -112.33 4.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.046 179.97 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.923 HG22 ' H ' ' A' ' 87' ' ' ASP . 3.8 m 77.53 -60.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.469 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.731 HG23 ' C ' ' A' ' 85' ' ' THR . 2.8 t 85.02 -13.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.923 ' H ' HG22 ' A' ' 85' ' ' THR . 44.9 t0 -142.69 97.4 3.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.413 1.071 . . . . 0.0 109.423 179.901 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 24.2 t -87.77 54.2 3.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 108.266 -179.935 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.6 t -98.09 -10.84 23.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 1.185 . . . . 0.0 110.469 179.926 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 m -88.77 -54.35 4.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 110.396 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.529 ' HB3' HG23 ' A' ' 40' ' ' VAL . . . -91.15 138.82 31.3 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -70.78 114.06 8.48 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.346 1.029 . . . . 0.0 109.225 -179.852 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.47 127.61 35.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.409 1.068 . . . . 0.0 108.25 -179.958 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 0.7 OUTLIER -105.82 122.19 45.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.948 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.882 HG22 ' HB3' ' A' ' 36' ' ' GLN . 21.4 t -90.12 119.9 38.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.77 -179.74 42.95 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.86 ' O ' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -104.7 140.48 37.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 0.763 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.0 p -106.78 156.11 19.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.972 -179.958 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.604 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -68.86 161.93 27.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.408 179.973 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.73 -0.53 57.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.91 -37.03 22.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.72 43.84 0.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -148.88 145.31 27.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.404 0.708 . . . . 0.0 109.211 -179.975 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.42 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -138.98 63.38 0.55 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.514 1.134 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.3 Cg_endo -75.16 -24.42 12.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.658 1.873 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.13 141.23 28.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.226 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 152.74 148.39 4.86 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.42 1.075 . . . . 0.0 110.965 179.916 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 0.9 OUTLIER -105.22 143.62 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.352 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.3 98.12 5.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 109.225 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.517 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -92.73 142.38 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.37 1.044 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.736 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.404 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.941 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.6 ' C ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.926 -0.451 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.805 ' HB ' HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER 51.13 176.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.521 1.138 . . . . 0.0 110.488 179.977 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.594 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -86.17 134.54 33.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.163 . . . . 0.0 109.349 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.72 ' C ' HG13 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -134.31 146.68 50.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.386 -179.969 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.643 HG13 HG21 ' A' ' 19' ' ' VAL . 2.8 t -71.25 122.27 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.761 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -34.4 -68.86 0.17 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.426 179.996 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.929 ' HG3' HG11 ' A' ' 19' ' ' VAL . 18.5 Cg_endo -74.81 -152.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 111.052 179.86 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.483 ' OG ' HD23 ' A' ' 13' ' ' LEU . 93.9 p -98.58 -26.96 14.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 1.016 ' HB3' HG21 ' A' ' 69' ' ' VAL . 0.4 OUTLIER 54.39 163.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.084 -179.909 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.28 -39.61 3.05 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.773 HD12 ' N ' ' A' ' 14' ' ' SER . 1.3 pp -62.88 -20.63 65.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 0.727 . . . . 0.0 109.258 179.946 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.773 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -146.82 110.98 5.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.936 -179.928 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.404 ' O ' ' OD2' ' A' ' 15' ' ' ASP . 2.4 p30 -69.45 53.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.329 1.018 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 14' ' ' SER . . . -175.11 24.31 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.372 1.045 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.632 ' HB ' HG12 ' A' ' 69' ' ' VAL . 3.0 m -91.74 105.85 18.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 0.798 . . . . 0.0 110.434 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.433 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 2.4 p -97.43 118.62 44.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.396 179.944 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.929 HG11 ' HG3' ' A' ' 9' ' ' PRO . 14.4 m -144.73 -162.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.229 179.991 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -123.25 142.07 51.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 0.0 109.246 -179.949 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.72 HG13 ' C ' ' A' ' 6' ' ' THR . 8.3 t -112.13 86.82 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.934 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -87.76 138.99 30.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.6 1.188 . . . . 0.0 109.278 -179.936 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.503 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -147.47 143.37 11.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.155 . . . . 0.0 111.041 -179.953 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -123.89 103.2 8.2 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.676 0.868 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.79 0.99 7.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.597 1.185 . . . . 0.0 111.054 -179.916 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.805 HD13 ' HB ' ' A' ' 4' ' ' THR . 9.0 tp -77.67 -141.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 0.783 . . . . 0.0 109.279 -179.911 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.968 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.1 mp0 -48.2 90.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.193 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.52 83.99 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 70.22 19.38 75.76 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.415 1.072 . . . . 0.0 111.083 -179.858 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.508 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.76 -178.09 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 0.723 . . . . 0.0 110.474 -179.981 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.711 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -145.85 100.75 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.185 -179.94 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.635 ' CD2' ' CG ' ' A' ' 27' ' ' GLN . 17.8 m-30 -116.47 171.24 7.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -90.65 119.51 30.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.183 -179.879 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.73 HG21 ' OG1' ' A' ' 65' ' ' THR . 0.5 OUTLIER -80.48 143.59 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.934 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.637 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 170.33 157.5 12.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.395 1.06 . . . . 0.0 110.941 179.931 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.76 ' CG ' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.46 91.31 7.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 0.788 . . . . 0.0 110.285 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.684 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 5.5 t -106.2 161.12 14.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 108.26 -179.997 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 164.38 171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 179.988 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.567 ' CD1' ' HG ' ' A' ' 45' ' ' LEU . 5.8 m-90 -66.39 102.8 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.542 ' CG2' ' N ' ' A' ' 41' ' ' ASP . 2.2 m -88.83 -53.46 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.347 1.029 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.542 ' N ' ' CG2' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -88.61 -165.69 1.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 179.946 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.2 m -68.12 91.51 0.36 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.511 179.916 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.19 15.79 61.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.491 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 19.0 t -97.45 107.92 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.536 0.786 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.567 ' HG ' ' CD1' ' A' ' 39' ' ' TRP . 0.3 OUTLIER -74.6 101.83 4.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.805 ' CB ' HD23 ' A' ' 77' ' ' LEU . . . -119.2 167.26 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.863 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 m -130.74 144.54 51.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.308 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.633 ' OD1' ' CZ ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -66.3 169.63 6.93 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.911 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.589 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.01 -11.65 21.46 Favored 'Trans proline' 0 C--N 1.362 1.248 0 O-C-N 124.401 1.737 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.55 16.32 24.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.429 1.081 . . . . 0.0 109.24 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.637 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -89.06 8.19 31.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.634 1.209 . . . . 0.0 109.26 -179.946 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.589 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -108.81 90.52 3.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 111.03 -179.968 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.625 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -151.01 85.14 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.94 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 3.7 t -39.52 152.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.706 1.254 . . . . 0.0 110.025 -179.951 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.909 HG21 ' HB ' ' A' ' 65' ' ' THR . 3.4 p -168.59 146.4 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.52 1.138 . . . . 0.0 109.256 -179.917 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.711 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -130.45 150.55 51.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.552 179.842 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.968 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -108.72 155.58 20.57 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.402 1.064 . . . . 0.0 109.303 -179.901 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.517 ' N ' ' OD2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -77.47 156.54 31.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.597 1.185 . . . . 0.0 109.286 179.915 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.75 -26.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.601 1.188 . . . . 0.0 109.322 179.914 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.455 ' N ' ' C ' ' A' ' 58' ' ' ASP . 26.7 t-20 -87.21 33.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 44.39 35.69 4.0 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.43 1.081 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -90.05 94.73 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 110.066 179.952 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.12 100.58 12.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.959 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 75.3 p -107.83 81.23 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 109.965 -179.933 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.909 ' HB ' HG21 ' A' ' 55' ' ' VAL . 9.7 t -104.73 118.66 37.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -110.61 141.17 44.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.014 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 tp -168.97 -175.25 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.45 HG23 ' HG3' ' A' ' 70' ' ' ARG . 12.4 t -107.49 136.39 47.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.016 HG21 ' HB3' ' A' ' 11' ' ' SER . 3.6 p -89.49 95.43 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.654 1.221 . . . . 0.0 109.26 -179.89 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.683 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 1.2 mtt-85 -95.5 67.1 2.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.1 . . . . 0.0 110.416 179.933 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.574 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 3.2 ttm180 -30.38 -38.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.421 1.076 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -96.35 134.12 39.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.086 179.958 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.709 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER 161.69 130.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 -179.973 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 83' ' ' TRP . 55.5 tt0 -87.28 105.6 17.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.576 1.173 . . . . 0.0 110.342 179.938 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.616 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -96.88 -145.79 19.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.483 ' HA ' ' O ' ' A' ' 81' ' ' THR . 8.2 m-85 -131.83 148.43 52.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.89 HD12 ' HB ' ' A' ' 81' ' ' THR . 1.3 mt -92.34 174.86 7.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.237 179.988 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.463 ' CD1' HG13 ' A' ' 44' ' ' VAL . 2.4 p90 -64.79 -29.23 70.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.54 -43.26 90.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.228 -179.939 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.77 -5.08 4.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.627 1.204 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.89 ' HB ' HD12 ' A' ' 77' ' ' LEU . 1.3 m -65.69 163.41 16.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.459 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -103.59 73.55 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.196 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.69 ' O ' HG22 ' A' ' 86' ' ' VAL . 5.6 t-105 -112.27 -81.78 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 107.968 179.94 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.728 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 55.7 87.08 0.02 OUTLIER Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.574 1.171 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.779 ' C ' HG23 ' A' ' 86' ' ' VAL . 1.0 OUTLIER 48.43 -76.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.401 0.707 . . . . 0.0 110.477 179.986 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.779 HG23 ' C ' ' A' ' 85' ' ' THR . 2.6 t 87.48 -40.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 89' ' ' THR . 4.9 t0 -156.56 81.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.378 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.493 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -68.3 60.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.438 1.087 . . . . 0.0 108.355 179.958 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 87' ' ' ASP . 13.9 t -88.01 -8.6 55.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.506 1.129 . . . . 0.0 110.508 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.2 m -150.24 -43.75 0.13 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.34 143.5 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.408 1.068 . . . . 0.0 109.329 179.934 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.14 111.65 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.385 1.053 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.12 128.18 37.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.362 1.039 . . . . 0.0 108.303 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.506 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 26.5 mt-30 -95.43 111.45 23.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.76 HG13 ' CG ' ' A' ' 36' ' ' GLN . 1.5 t -88.6 103.08 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.394 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.476 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -157.48 176.52 34.61 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.379 1.049 . . . . 0.0 111.002 -179.928 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.756 HD13 HG13 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -108.68 123.36 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.627 0.839 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -103.67 148.58 25.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.998 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.579 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -41.66 161.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 179.919 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.11 -11.36 58.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.414 ' HB3' ' OD1' ' A' ' 103' ' ' ASN . . . -87.73 -19.13 28.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.65 45.97 5.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.616 1.198 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.414 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -138.17 144.07 40.55 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 0.738 . . . . 0.0 109.317 -179.936 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.19 112.4 3.1 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.579 1.174 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 59.03 5.13 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.434 1.755 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.77 145.69 25.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.068 . . . . 0.0 110.228 -179.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.476 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . 131.64 156.38 8.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.434 1.084 . . . . 0.0 111.056 -179.996 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.809 HG13 HD12 ' A' ' 110' ' ' ILE . 1.0 OUTLIER -102.31 143.26 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.375 0.691 . . . . 0.0 109.338 -179.974 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.39 95.96 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.809 HD12 HG13 ' A' ' 108' ' ' VAL . 1.1 mp -78.88 159.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 109.246 -179.993 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.483 ' O ' ' O ' ' A' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 110.011 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.704 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . 175.51 172.03 0.3 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.704 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 18.5 Cg_endo -74.91 -6.57 18.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.047 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.551 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.3 p 60.75 -148.05 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.462 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.712 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -75.2 118.52 18.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.616 ' HA ' HG11 ' A' ' 108' ' ' VAL . 1.1 p -145.22 145.57 31.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.479 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.96 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.1 t -75.12 142.62 14.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.53 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -49.02 -58.18 9.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.37 1.044 . . . . 0.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.977 ' HG3' HG11 ' A' ' 19' ' ' VAL . 17.8 Cg_endo -75.0 -160.85 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.529 ' HA ' HD11 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -136.76 -46.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.386 1.054 . . . . 0.0 109.937 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 111' ' ' SER . 23.7 p -70.19 59.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.606 1.191 . . . . 0.0 110.049 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.513 ' HA3' HG23 ' A' ' 110' ' ' ILE . . . -50.48 -19.02 2.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.005 HD23 ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER -69.93 60.32 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.497 0.763 . . . . 0.0 109.24 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -130.03 126.57 38.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.087 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 14' ' ' SER . 1.4 m-20 -36.01 94.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 41.84 67.62 0.81 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.767 HG22 HG12 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -76.24 127.62 33.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.402 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.84 HG13 ' OG1' ' A' ' 68' ' ' THR . 1.3 t -98.25 123.19 50.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.977 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -150.9 -172.49 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -111.59 137.72 49.07 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.609 HG22 ' HA ' ' A' ' 7' ' ' VAL . 76.0 t -113.66 108.71 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.412 1.07 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.05 131.49 35.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -114.59 92.95 0.62 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.521 1.138 . . . . 0.0 111.083 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . -90.81 124.65 35.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.71 21.24 79.57 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.812 HD11 HD21 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -85.25 -142.64 0.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.357 0.681 . . . . 0.0 109.238 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.996 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.1 mm100 -54.69 89.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.24 84.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 79.69 0.9 85.97 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.522 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -89.17 -175.06 4.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 0.783 . . . . 0.0 110.34 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.818 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -146.51 149.26 33.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.685 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.4 m-30 -150.44 -167.33 2.79 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 72.8 m-20 -109.61 109.57 20.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.334 1.021 . . . . 0.0 109.382 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 65' ' ' THR . 1.2 t -78.37 140.74 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.601 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 173.01 160.68 22.04 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -93.95 101.08 13.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 0.0 110.376 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.624 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 4.8 t -106.97 150.3 26.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 108.353 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.512 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 177.37 168.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.362 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 45' ' ' LEU . 1.3 m95 -68.26 111.01 4.31 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.849 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -94.71 -46.1 13.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.605 ' OD2' ' CZ3' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -87.15 -162.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 m -64.86 76.27 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.344 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 72.36 14.25 77.06 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.454 1.096 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.717 HG11 ' HG ' ' A' ' 77' ' ' LEU . 27.0 t -90.05 116.34 31.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.569 0.806 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.761 HD11 H173 ' A' ' 130' ' ' NCZ . 3.6 tp -64.12 105.47 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.23 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.849 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -123.03 136.47 54.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.363 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.61 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 26.6 m -97.88 156.58 16.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.599 1.187 . . . . 0.0 108.229 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.522 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -79.84 162.64 61.75 Favored Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 124.419 1.074 . . . . 0.0 109.359 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.595 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 17.9 Cg_endo -75.11 -12.97 21.31 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.403 1.738 . . . . 0.0 110.951 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.26 14.24 25.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.601 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.47 10.86 16.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.595 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -106.61 91.85 3.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 111.003 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.529 ' HB3' HG12 ' A' ' 34' ' ' VAL . 28.8 t -150.52 91.47 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 110.08 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 53' ' ' SER . 25.4 p -33.17 148.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.055 . . . . 0.0 110.072 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.605 HG21 HG21 ' A' ' 65' ' ' THR . 0.3 OUTLIER -147.48 155.36 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.818 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -151.57 129.32 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 110.403 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.999 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -101.66 139.84 36.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.578 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -62.3 159.5 15.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.402 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.22 -29.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.437 ' N ' ' C ' ' A' ' 58' ' ' ASP . 13.0 t-20 -88.75 34.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.19 45.46 5.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.8 OUTLIER -109.15 97.74 7.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.593 0.819 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.999 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.14 84.11 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.7 m -93.25 80.58 4.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.898 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.802 HG21 HG21 ' A' ' 34' ' ' VAL . 15.1 t -107.05 138.65 42.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.585 1.178 . . . . 0.0 110.459 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.87 137.43 46.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.423 1.077 . . . . 0.0 110.135 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.81 177.81 11.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.84 ' OG1' HG13 ' A' ' 18' ' ' VAL . 95.4 m -106.68 135.73 47.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.156 . . . . 0.0 110.361 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.767 HG12 HG22 ' A' ' 17' ' ' THR . 12.3 p -87.57 87.72 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -87.76 78.19 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.474 ' HD3' ' CA ' ' A' ' 89' ' ' THR . 6.2 ttm180 -52.42 -33.24 42.99 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 2.5 p -93.41 134.08 36.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.59 1.181 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.515 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 162.26 177.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 27.0 tt0 -89.26 111.61 22.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.9 160.74 35.66 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.554 1.159 . . . . 0.0 111.044 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.498 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -138.23 128.27 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.0 111.02 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.731 HD12 ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -62.95 145.79 54.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.636 1.21 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 45' ' ' LEU . 3.4 p90 -76.04 -18.12 59.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.27 -48.17 82.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.386 1.054 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.6 -24.94 0.31 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.059 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 89.0 m -88.67 158.57 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 110.329 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 1.4 ptp180 -108.04 145.69 33.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.16 . . . . 0.0 110.426 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.624 ' CD1' HG13 ' A' ' 40' ' ' VAL . 73.7 t-105 -105.56 -91.22 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 108.033 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.474 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 138.99 -68.82 0.49 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.623 1.202 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.741 ' C ' HG23 ' A' ' 86' ' ' VAL . 1.2 m 67.04 -61.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.359 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.741 HG23 ' C ' ' A' ' 85' ' ' THR . 2.9 t 86.83 -35.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.495 ' N ' HG22 ' A' ' 85' ' ' THR . 0.7 OUTLIER -138.88 107.17 5.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.245 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 15.1 t -89.74 57.88 4.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 108.278 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.474 ' CA ' ' HD3' ' A' ' 71' ' ' ARG . 8.8 t -100.81 -13.34 18.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.7 m -88.48 -57.55 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -89.9 124.59 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.31 120.02 7.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.595 1.185 . . . . 0.0 109.292 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.99 126.52 35.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 108.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.475 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 25.3 mt-30 -97.32 116.33 29.33 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.467 HG22 ' HG2' ' A' ' 36' ' ' GLN . 3.4 t -87.82 110.22 20.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 109.234 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.52 -177.45 37.17 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.566 1.166 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.812 HD21 HD11 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -106.57 155.68 19.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.582 0.813 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -104.33 148.32 26.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.634 1.209 . . . . 0.0 109.885 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.616 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -94.54 159.23 15.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 1.178 . . . . 0.0 109.214 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.65 14.82 10.73 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.546 1.154 . . . . 0.0 109.238 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.34 -30.46 12.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.18 40.93 1.59 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.407 1.067 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.8 160.3 39.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 109.262 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -129.52 66.72 0.57 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -37.69 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.494 1.786 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.23 147.79 23.96 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 143.44 110.25 0.74 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.356 1.035 . . . . 0.0 111.047 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.616 HG11 ' HA ' ' A' ' 6' ' ' THR . 4.1 p -100.56 118.74 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.598 0.822 . . . . 0.0 109.292 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.03 87.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.422 1.077 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.529 HD11 ' HA ' ' A' ' 10' ' ' SER . 3.0 tp -86.29 153.44 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 1.005 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER 157.69 -56.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 1.188 . . . . 0.0 109.925 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -151.62 124.95 8.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.191 . . . . 0.0 109.418 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.761 H173 HD11 ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.647 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -155.93 52.39 0.66 Allowed Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.456 1.097 . . . . 0.0 109.355 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.647 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.6 Cg_endo -75.03 -12.54 21.45 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.515 1.798 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.641 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.2 p 63.34 -146.63 0.34 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.622 ' H ' HD23 ' A' ' 26' ' ' LEU . . . -77.54 109.92 11.9 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.474 1.109 . . . . 0.0 109.43 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -146.07 148.67 32.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.887 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -81.39 139.96 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.487 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -38.83 -56.17 2.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.381 1.051 . . . . 0.0 110.39 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.887 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.95 -159.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.448 1.762 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.14 -58.31 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.493 ' CB ' ' HA ' ' A' ' 112' ' ' PHE . 0.2 OUTLIER -132.22 168.84 17.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.936 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.564 ' HA2' ' CZ ' ' A' ' 112' ' ' PHE . . . 74.66 31.4 58.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.569 1.168 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.704 HD22 HG21 ' A' ' 17' ' ' THR . 76.9 mt -88.83 165.66 14.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 0.774 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.8 t -127.78 153.04 47.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.09 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.28 83.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.342 1.027 . . . . 0.0 109.35 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 126.7 33.71 0.64 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.406 1.066 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.704 HG21 HD22 ' A' ' 13' ' ' LEU . 97.6 m -86.61 103.22 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.62 0.835 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.52 123.78 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.228 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.804 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -149.28 -177.76 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -103.49 134.75 46.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.364 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.6 t -114.66 103.02 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -87.93 134.26 33.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.13 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.448 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -120.14 66.38 0.42 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.442 1.088 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.85 118.22 17.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 72.84 41.76 48.2 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.622 HD23 ' H ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -104.93 -95.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.587 ' OE1' ' CD1' ' A' ' 32' ' ' TYR . 6.3 mm-40 -61.26 -13.48 19.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.401 1.063 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 68.61 8.48 6.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 118.58 -0.05 15.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.093 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.649 HG22 ' H ' ' A' ' 31' ' ' ALA . 3.0 m -80.43 -157.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.482 0.754 . . . . 0.0 110.46 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.649 ' H ' HG22 ' A' ' 30' ' ' THR . . . -140.89 114.84 9.08 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.565 1.165 . . . . 0.0 109.29 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.609 ' CE1' ' HA ' ' A' ' 99' ' ' ASP . 1.1 m-30 -123.24 -175.12 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.452 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.6 m-20 -102.74 127.45 49.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 0.0 109.301 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.748 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -90.53 131.72 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.64 ' O ' H182 ' A' ' 130' ' ' NCZ . . . -179.37 149.99 9.09 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.642 1.214 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.634 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -93.64 109.56 21.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.623 0.837 . . . . 0.0 110.38 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.573 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 0.6 OUTLIER -108.08 151.73 25.48 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.501 1.126 . . . . 0.0 108.288 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.58 ' HB1' ' O ' ' A' ' 92' ' ' ALA . . . -171.0 162.92 7.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.544 ' CD1' ' O ' ' A' ' 39' ' ' TRP . 18.4 p90 -74.36 110.43 8.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.667 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -98.09 -48.18 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.607 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 2.3 t0 -73.47 -154.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 42' ' ' THR . 14.7 t -78.51 54.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.068 . . . . 0.0 110.447 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.28 2.39 54.09 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.6 1.188 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 14.6 t -82.39 118.87 30.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.446 0.733 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 mt -68.64 100.16 1.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.477 ' HB2' HD23 ' A' ' 77' ' ' LEU . . . -109.52 144.86 37.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.652 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 4.9 m -108.93 153.17 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.607 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -86.99 178.95 1.96 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.667 1.229 . . . . 0.0 109.369 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -75.0 -16.31 20.27 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.562 1.822 . . . . 0.0 111.097 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.44 12.51 31.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.603 1.189 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.631 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.9 t70 -88.42 -0.87 57.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.607 1.192 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 5.1 m-85 -107.85 91.03 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.525 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -147.91 81.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.962 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' SER . 52.4 p -37.13 129.78 0.89 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.539 1.149 . . . . 0.0 110.046 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.846 ' CG2' HG21 ' A' ' 65' ' ' THR . 3.2 t -143.25 151.91 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.6 1.188 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.583 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -132.35 146.38 51.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.407 1.067 . . . . 0.0 110.478 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.481 ' CB ' ' HB2' ' A' ' 27' ' ' GLN . . . -99.12 137.6 37.41 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.654 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -58.69 159.35 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.359 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.79 -32.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.386 1.054 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 58' ' ' ASP . 38.6 t30 -88.56 35.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.37 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 39.64 43.45 2.26 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.621 1.201 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 19.3 m -116.29 103.86 10.91 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.583 0.814 . . . . 0.0 109.949 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -103.09 95.61 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.368 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.5 p -98.78 82.27 2.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.846 HG21 ' CG2' ' A' ' 55' ' ' VAL . 31.3 m -109.26 136.14 49.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.41 ' O ' HD22 ' A' ' 67' ' ' LEU . 89.3 p -90.42 125.48 35.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.494 HD23 HG11 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -137.5 163.64 30.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 17' ' ' THR . 5.3 t -106.08 137.31 44.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.348 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.514 HG21 HD13 ' A' ' 13' ' ' LEU . 21.2 t -89.35 87.08 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.691 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -95.19 70.86 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -36.73 -32.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -88.63 136.77 32.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.395 1.059 . . . . 0.0 110.022 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.691 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER 168.09 -178.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.462 1.101 . . . . 0.0 110.923 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -97.61 110.04 22.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.33 1.019 . . . . 0.0 110.353 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.66 145.85 34.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.619 ' CE1' ' O ' ' A' ' 77' ' ' LEU . 2.1 t80 -133.48 123.83 25.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 0.802 . . . . 0.0 111.002 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.787 HD21 ' HB2' ' A' ' 83' ' ' TRP . 7.5 mt -66.6 154.65 39.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -83.57 -27.62 29.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -56.89 -44.81 82.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.36 -21.63 0.74 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.602 1.189 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.707 ' HB ' HD12 ' A' ' 77' ' ' LEU . 45.2 m -82.55 158.55 23.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 0.798 . . . . 0.0 110.441 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -111.01 142.14 43.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.787 ' HB2' HD21 ' A' ' 77' ' ' LEU . 44.4 t-105 -101.44 -84.57 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 108.021 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.475 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 124.32 -74.48 0.4 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.587 1.179 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.73 ' C ' HG23 ' A' ' 86' ' ' VAL . 1.1 m 67.35 -62.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 0.716 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.73 HG23 ' C ' ' A' ' 85' ' ' THR . 3.3 t 88.55 -32.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.379 1.049 . . . . 0.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.572 ' H ' HG22 ' A' ' 85' ' ' THR . 29.2 t0 -138.42 115.89 11.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 13.0 t -88.99 55.87 3.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 108.342 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.7 t -96.06 -16.06 21.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 110.414 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.2 m -89.0 -56.81 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.456 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.65 156.75 17.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.19 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.58 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -88.81 122.41 32.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.679 1.237 . . . . 0.0 109.222 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.49 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -86.91 120.78 28.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.567 1.167 . . . . 0.0 108.339 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.501 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 20.3 mt-30 -99.41 116.12 30.83 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.634 HG22 ' HB3' ' A' ' 36' ' ' GLN . 41.8 t -88.88 123.75 41.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.096 . . . . 0.0 109.237 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -172.43 173.46 45.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.748 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -106.05 126.68 52.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.779 . . . . 0.0 109.36 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.496 ' HB2' ' C7 ' ' A' ' 130' ' ' NCZ . 0.6 OUTLIER -105.03 170.66 7.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.093 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.609 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -64.43 161.23 17.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.21 -22.37 6.6 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.614 1.196 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.27 -27.21 26.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 99' ' ' ASP . . . 100.17 16.57 27.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -95.57 157.65 15.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.55 114.59 3.59 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.448 1.093 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.502 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.4 Cg_endo -74.92 52.85 3.13 Favored 'Trans proline' 0 C--N 1.358 1.032 0 O-C-N 124.501 1.79 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.83 ' O ' H181 ' A' ' 130' ' ' NCZ . 3.8 mm-40 -90.53 102.11 14.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.09 144.13 4.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.39 1.056 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 4.1 p -106.09 129.9 58.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.531 0.783 . . . . 0.0 109.192 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.541 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -62.84 91.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.779 HG21 HG21 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -106.47 138.13 33.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.554 1.158 . . . . 0.0 109.387 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 3.9 p 157.82 -48.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.076 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.564 ' CZ ' ' HA2' ' A' ' 12' ' ' GLY . 0.6 OUTLIER -172.97 168.19 4.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.967 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.83 H181 ' O ' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 1.107 ' HB3' HG21 ' A' ' 6' ' ' THR . . . 62.88 149.33 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.221 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.663 ' C ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo -75.01 162.03 37.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.592 1.838 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.663 HG23 ' C ' ' A' ' 3' ' ' PRO . 0.8 OUTLIER 62.48 -153.9 0.35 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.57 1.169 . . . . 0.0 110.432 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.657 ' HB2' ' CD2' ' A' ' 97' ' ' LEU . . . -73.13 125.67 28.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.391 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 1.107 HG21 ' HB3' ' A' ' 2' ' ' ALA . 1.2 p -139.19 148.7 43.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.371 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.918 HG21 HG21 ' A' ' 110' ' ' ILE . 84.7 t -86.04 126.06 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.724 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -30.4 -68.5 0.12 Allowed Pre-proline 0 C--N 1.323 -0.568 0 O-C-N 124.615 1.197 . . . . 0.0 110.432 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.892 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.98 -158.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 111.081 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.533 ' HA ' HD11 ' A' ' 110' ' ' ILE . 15.0 p -148.73 -75.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.8 t -108.59 149.12 29.33 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.477 1.111 . . . . 0.0 109.954 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.432 ' C ' HD23 ' A' ' 13' ' ' LEU . . . 97.59 28.08 8.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.572 1.17 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.713 ' N ' HD23 ' A' ' 13' ' ' LEU . 1.2 mt -86.08 164.55 17.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 109.213 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.586 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.7 OUTLIER -127.16 159.91 32.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.888 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.87 64.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.07 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 138.92 39.25 0.1 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.485 1.116 . . . . 0.0 111.115 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.776 ' O ' HG12 ' A' ' 69' ' ' VAL . 1.1 m -92.01 116.47 28.95 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.549 0.793 . . . . 0.0 110.27 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.426 HG23 ' H ' ' A' ' 18' ' ' VAL . 1.6 t -74.23 128.91 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.226 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.917 HG21 HG13 ' A' ' 7' ' ' VAL . 15.3 m -145.16 165.46 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -98.23 124.64 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.381 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.4 HG12 ' HB1' ' A' ' 5' ' ' ALA . 3.3 t -99.19 94.63 3.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.576 1.172 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.26 120.17 30.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.405 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.434 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -111.27 96.22 0.87 Allowed Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.428 1.08 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.01 103.34 15.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.394 0.702 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.24 14.59 25.74 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.531 1.144 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.711 ' HG ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -84.18 -143.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.726 . . . . 0.0 109.293 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.864 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 35.0 mm-40 -49.49 90.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -57.97 83.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 75.71 6.13 80.72 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.48 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.11 -176.52 4.63 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.533 0.784 . . . . 0.0 110.35 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.695 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -137.23 112.79 9.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 2.7 m-30 -117.46 170.97 8.31 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.453 1.096 . . . . 0.0 111.079 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -88.79 123.17 32.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 1.074 . . . . 0.0 109.28 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.698 HG23 HG11 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -85.35 139.33 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.582 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 163.75 144.14 3.94 Favored Glycine 0 CA--C 1.528 0.856 0 O-C-N 124.421 1.076 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.715 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 4.8 pm0 -92.45 119.12 31.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.363 0.684 . . . . 0.0 110.328 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.539 ' HB3' ' C1 ' ' A' ' 130' ' ' NCZ . 1.4 t -109.78 154.21 23.27 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.353 1.033 . . . . 0.0 108.394 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -167.44 153.32 7.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.358 1.037 . . . . 0.0 109.218 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.415 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 29.7 p-90 -69.76 106.72 3.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 107.96 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.893 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -90.1 -46.01 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.407 1.067 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.609 ' OD1' ' CH2' ' A' ' 83' ' ' TRP . 1.2 t0 -86.51 -166.37 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -61.97 79.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.423 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 67.65 24.51 74.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 26.0 t -100.47 106.25 18.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.361 0.683 . . . . 0.0 109.245 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.896 HD22 H173 ' A' ' 130' ' ' NCZ . 4.3 mt -57.43 95.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.893 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -102.42 132.24 48.57 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.608 1.193 . . . . 0.0 109.37 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.598 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 33.6 m -96.75 155.39 16.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 108.322 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.67 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -88.87 168.41 15.74 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.589 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.96 -8.66 20.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.582 1.833 . . . . 0.0 111.022 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.52 10.68 33.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.582 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -89.75 5.01 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.231 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 4.2 m-85 -107.05 88.97 2.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.082 . . . . 0.0 111.038 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.689 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -150.68 85.73 1.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.919 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 53' ' ' SER . 40.0 t -35.96 149.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.698 HG11 HG23 ' A' ' 34' ' ' VAL . 10.6 p -158.02 155.62 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.224 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.695 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -138.97 141.92 38.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 0.0 110.393 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 1.021 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -107.39 144.29 34.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -59.8 160.07 8.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.77 -32.22 0.21 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -88.34 35.87 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.368 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.78 42.61 4.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.425 1.078 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -102.34 95.8 6.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.758 . . . . 0.0 110.057 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 1.021 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.4 80.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 p -93.97 77.82 4.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.888 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.468 ' OG1' HG23 ' A' ' 55' ' ' VAL . 2.5 m -109.56 139.18 44.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.444 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.431 ' O ' HD12 ' A' ' 67' ' ' LEU . 52.5 p -97.73 135.01 40.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 110.075 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -145.64 171.21 15.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.364 1.04 . . . . 0.0 109.342 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.467 ' CG2' ' HA2' ' A' ' 16' ' ' GLY . 2.0 m -105.92 130.47 53.86 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.564 1.165 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.776 HG12 ' O ' ' A' ' 17' ' ' THR . 7.3 p -86.0 92.07 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.694 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 3.4 mtt180 -87.69 72.24 9.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.067 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 20.7 ttp180 -38.54 -36.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.193 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.554 ' C ' ' CG ' ' A' ' 73' ' ' PHE . 4.0 m -98.75 148.93 23.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 110.032 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.694 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 161.18 -172.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.953 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 1.2 tt0 -100.79 97.34 7.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.241 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.467 ' HA3' ' HG1' ' A' ' 85' ' ' THR . . . -66.14 162.17 43.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.585 ' CZ ' ' HG3' ' A' ' 82' ' ' ARG . 47.0 m-85 -142.57 124.02 14.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 0.796 . . . . 0.0 110.988 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 83' ' ' TRP . 18.1 mt -53.96 159.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.237 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 78' ' ' PHE . 2.1 p90 -73.24 -32.2 64.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.06 -51.55 65.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.87 -24.21 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.406 1.066 . . . . 0.0 110.965 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.0 m -74.56 149.11 40.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.585 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 5.4 ttm180 -90.53 142.61 27.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.697 ' CD1' HG13 ' A' ' 40' ' ' VAL . 76.3 t-105 -102.4 -89.22 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.119 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 74' ' ' GLU . . . 164.09 -67.59 0.22 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.844 HG23 ' CG2' ' A' ' 40' ' ' VAL . 2.0 m 78.7 -62.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.602 HG23 ' C ' ' A' ' 85' ' ' THR . 2.4 t 75.43 -77.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -128.88 110.17 11.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.18 . . . . 0.0 109.39 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 49.7 t -75.01 57.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 0.0 108.247 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.8 t -100.02 -25.4 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.384 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.0 m -88.81 -51.72 5.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.499 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -89.36 147.02 24.3 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.401 1.063 . . . . 0.0 109.227 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.825 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -86.01 122.79 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.354 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.603 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -91.09 119.34 31.15 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.498 1.123 . . . . 0.0 108.33 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.608 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 23.3 mt-30 -91.84 115.22 27.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.571 ' CG2' HG22 ' A' ' 110' ' ' ILE . 2.3 t -88.28 123.01 40.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -170.4 170.14 42.79 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.64 1.213 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.711 HD21 ' HG ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -106.33 118.22 36.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.479 ' HB3' ' C7 ' ' A' ' 130' ' ' NCZ . 47.1 p -90.44 159.88 16.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.905 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.577 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -57.32 163.71 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.15 -16.82 62.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.36 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.512 ' HB3' ' ND2' ' A' ' 103' ' ' ASN . . . -76.26 -23.04 54.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.1 39.1 3.61 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.625 1.203 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.512 ' ND2' ' HB3' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -146.23 157.98 43.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.407 0.71 . . . . 0.0 109.394 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.51 122.26 0.94 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -5.54 16.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.612 1.849 . . . . 0.0 111.057 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.744 ' O ' H181 ' A' ' 130' ' ' NCZ . 0.1 OUTLIER -67.74 130.68 43.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.02 130.64 1.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.084 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 p -106.61 125.86 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 O-C-N 124.472 0.748 . . . . 0.0 109.382 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.825 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -65.92 91.16 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.918 HG21 HG21 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -109.8 141.98 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.39 1.056 . . . . 0.0 109.334 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.2 m 152.45 -43.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.941 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -164.58 174.71 10.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.637 1.21 . . . . 0.0 111.055 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.3 t30 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.183 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.896 H173 HD22 ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' C ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.462 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -133.5 62.24 58.46 Favored Pre-proline 0 C--N 1.323 -0.57 0 O-C-N 124.626 1.204 . . . . 0.0 109.318 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.2 Cg_endo -74.94 47.35 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.575 1.829 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 19.3 p 49.35 -125.96 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.818 ' HB2' HD21 ' A' ' 26' ' ' LEU . . . -81.93 119.35 23.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.608 1.193 . . . . 0.0 109.273 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -148.01 147.66 29.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.353 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.791 HG22 ' HD2' ' A' ' 9' ' ' PRO . 4.7 p -97.5 147.63 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.495 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -37.13 -56.19 1.56 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.176 . . . . 0.0 110.436 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.791 ' HD2' HG22 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.15 -177.92 3.83 Favored 'Trans proline' 0 C--N 1.362 1.259 0 O-C-N 124.406 1.74 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.46 ' HA ' HG12 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -150.23 -44.86 0.13 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.531 1.144 . . . . 0.0 109.914 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.491 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 26.7 m -134.04 -174.51 3.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 0.0 110.068 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 37.84 44.99 1.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.561 1.163 . . . . 0.0 110.988 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.92 HD12 ' N ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -73.78 167.39 21.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.625 0.838 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.92 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -116.59 144.4 44.43 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.16 . . . . 0.0 110.012 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -59.49 74.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 120.98 39.73 0.58 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.606 1.191 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.635 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.3 m -82.48 108.07 15.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.424 0.72 . . . . 0.0 110.393 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.5 t -78.85 127.15 39.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.692 HG11 ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -153.25 179.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -107.72 135.5 49.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.587 HG22 HG23 ' A' ' 7' ' ' VAL . 61.8 t -106.64 105.28 18.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.344 1.028 . . . . 0.0 109.313 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.79 132.96 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.352 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -109.29 86.58 0.45 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.592 1.183 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.5 100.05 11.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.3 32.12 8.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.592 1.182 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.818 HD21 ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -81.05 -149.11 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 0.716 . . . . 0.0 109.344 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.893 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -84.98 82.39 8.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.359 1.037 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.583 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . -59.2 118.08 5.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.623 1.202 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.99 -30.51 7.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 111.068 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.501 HG21 ' NE2' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.07 -178.63 5.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.61 0.83 . . . . 0.0 110.411 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.915 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -160.45 140.97 11.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.861 ' O ' HG12 ' A' ' 55' ' ' VAL . 20.7 m-85 -137.46 -179.84 5.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 111.058 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.455 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.7 m-20 -90.69 122.26 33.3 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.802 HG23 ' HB3' ' A' ' 97' ' ' LEU . 1.2 t -89.41 141.51 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.55 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 171.78 157.88 14.64 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.395 1.059 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.551 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.8 OUTLIER -91.5 107.62 19.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 110.318 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.578 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 1.3 t -107.18 150.16 26.92 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.506 1.129 . . . . 0.0 108.355 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.649 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -174.9 161.2 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.515 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 64.0 p-90 -66.27 109.54 2.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.519 1.137 . . . . 0.0 107.964 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.951 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -103.66 -47.66 10.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.617 ' CG ' HD21 ' A' ' 77' ' ' LEU . 4.5 t70 -91.99 170.44 9.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.079 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 44' ' ' VAL . 12.6 m -31.89 95.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.349 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 40.29 26.84 0.13 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 110.951 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.08 HG11 HD23 ' A' ' 77' ' ' LEU . 3.0 t -103.15 127.52 56.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.428 0.722 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.466 HD22 H173 ' A' ' 130' ' ' NCZ . 0.3 OUTLIER -68.67 107.26 2.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.951 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -117.29 136.04 53.39 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.595 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 62.7 m -96.06 160.36 14.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 108.457 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.479 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -85.11 164.7 40.3 Favored Pre-proline 0 C--N 1.323 -0.565 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.663 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.97 -14.51 21.19 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.5 13.0 28.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.242 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.575 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.86 9.99 22.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.388 179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.663 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 2.3 m-85 -105.2 89.09 3.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.376 1.048 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.522 ' OG ' ' CD2' ' A' ' 67' ' ' LEU . 7.1 t -149.71 89.83 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.973 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -35.21 151.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.981 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.872 HG23 ' HB ' ' A' ' 65' ' ' THR . 11.0 p -150.95 148.29 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.915 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -140.4 138.81 35.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.378 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.893 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -97.69 125.22 42.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.093 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.682 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -62.39 158.33 17.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.45 -33.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.167 . . . . 0.0 109.258 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 58' ' ' ASP . 20.2 t-20 -89.24 35.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.682 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.05 42.7 2.37 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.435 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 14.5 m -109.15 103.69 12.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 110.035 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.75 86.73 2.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.242 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.6 p -96.29 81.63 3.33 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.566 1.166 . . . . 0.0 109.95 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.872 ' HB ' HG23 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -109.23 127.25 54.1 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 52.9 p -100.39 140.74 34.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 110.052 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.522 ' CD2' ' OG ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -153.51 -174.72 5.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 109.213 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.504 HG23 ' CG ' ' A' ' 70' ' ' ARG . 14.4 t -103.85 129.71 51.35 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 124.448 1.093 . . . . 0.0 110.441 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 17' ' ' THR . 24.5 t -89.72 85.83 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.416 1.073 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.504 ' CG ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -102.5 103.58 13.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.373 1.046 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.439 ' HB2' HD11 ' A' ' 13' ' ' LEU . 15.3 ttp180 -76.3 -31.89 58.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.234 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 27.8 m -94.19 129.35 40.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.481 ' HB3' ' CG ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 163.3 177.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.491 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 3.0 tp10 -80.77 120.86 25.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.11 159.89 26.77 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -133.14 127.96 35.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.96 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.08 HD23 HG11 ' A' ' 44' ' ' VAL . 4.0 mp -67.86 151.11 47.69 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.388 1.055 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -79.89 -17.89 52.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.43 -48.09 82.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.235 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.15 -26.18 0.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.398 1.061 . . . . 0.0 111.054 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.45 HG23 HD13 ' A' ' 77' ' ' LEU . 6.5 t -90.11 168.97 11.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 0.78 . . . . 0.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -112.56 148.7 33.97 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.786 ' HB2' HD11 ' A' ' 77' ' ' LEU . 37.9 t-105 -103.48 -89.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 142.4 -76.17 0.31 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.366 1.041 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.939 ' O ' HG22 ' A' ' 86' ' ' VAL . 1.4 m 66.73 -61.47 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 0.729 . . . . 0.0 110.41 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.939 HG22 ' O ' ' A' ' 85' ' ' THR . 0.8 OUTLIER 80.45 -22.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.722 ' H ' HG22 ' A' ' 85' ' ' THR . 2.1 t0 -141.24 103.67 4.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 42.0 t -91.2 43.14 1.13 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.68 1.237 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t -89.64 -14.1 35.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.379 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.7 m -88.65 -51.7 5.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.461 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.2 116.9 29.19 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -53.49 110.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.649 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -83.49 123.83 30.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.423 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.551 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.9 pt20 -101.72 117.55 35.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.507 HG22 ' HB3' ' A' ' 36' ' ' GLN . 2.8 t -86.04 109.2 18.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.417 ' C ' H183 ' A' ' 130' ' ' NCZ . . . -156.54 177.71 33.38 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.802 ' HB3' HG23 ' A' ' 34' ' ' VAL . 1.5 pt? -106.23 117.67 34.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.425 0.721 . . . . 0.0 109.33 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.6 t -83.24 129.54 35.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.446 ' HA ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -64.53 161.85 16.57 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.26 10.94 15.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.66 -17.0 24.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.149 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.455 ' C ' ' ND2' ' A' ' 103' ' ' ASN . . . 102.22 42.5 2.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.087 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.455 ' ND2' ' C ' ' A' ' 102' ' ' GLY . 0.2 OUTLIER -140.84 152.4 45.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 0.743 . . . . 0.0 109.195 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.444 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -135.35 62.15 0.62 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.3 Cg_endo -75.11 -32.49 5.21 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.98 141.17 30.53 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.644 1.215 . . . . 0.0 110.336 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 95' ' ' VAL . . . 144.17 126.78 1.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 110' ' ' ILE . 2.1 p -105.37 123.35 59.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.509 0.77 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -59.89 87.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.661 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.1 OUTLIER -92.52 138.65 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 8.0 p 144.52 -66.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 110.054 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.6 ' C ' ' O ' ' A' ' 111' ' ' SER . 7.1 m-85 18.34 65.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.3 p30 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.576 1.173 . . . . 0.0 109.302 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.595 ' C9 ' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.652 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . -112.65 169.98 5.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.652 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 18.7 Cg_endo -74.77 163.52 35.52 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 0.0 111.06 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.424 ' O ' ' HA2' ' A' ' 23' ' ' GLY . 3.5 p 36.37 -149.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.451 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.853 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -83.31 122.21 28.14 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.551 1.157 . . . . 0.0 109.216 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -143.57 143.45 31.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.565 HG22 ' CG2' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -74.19 130.6 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.618 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.71 -63.07 0.32 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.339 1.024 . . . . 0.0 110.385 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.913 ' CG ' HG11 ' A' ' 19' ' ' VAL . 17.8 Cg_endo -75.08 -160.75 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.549 1.815 . . . . 0.0 110.978 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.535 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 15.5 p -151.51 -70.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.891 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.404 ' HB2' ' C ' ' A' ' 112' ' ' PHE . 1.0 OUTLIER -111.04 158.1 19.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.53 26.2 30.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.594 1.184 . . . . 0.0 111.012 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.026 HD12 HG23 ' A' ' 110' ' ' ILE . 83.8 mt -90.64 150.44 21.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.556 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.0 t -123.3 156.83 34.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.894 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.428 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 5.5 p-10 -58.16 79.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.573 ' HA2' HG22 ' A' ' 68' ' ' THR . . . 134.78 33.3 0.29 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.557 1.16 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.789 HG21 HD22 ' A' ' 13' ' ' LEU . 22.4 m -89.49 105.28 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 110.483 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.621 HG22 ' OG1' ' A' ' 68' ' ' THR . 21.8 t -73.79 116.81 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.913 HG11 ' CG ' ' A' ' 9' ' ' PRO . 1.7 m -141.91 171.84 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.373 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -115.75 127.07 54.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.39 1.056 . . . . 0.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.613 ' HB ' HG23 ' A' ' 65' ' ' THR . 2.1 t -94.09 110.33 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.55 126.25 35.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.666 1.229 . . . . 0.0 109.211 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.909 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -104.67 127.54 9.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.402 1.064 . . . . 0.0 111.01 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.84 102.63 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.402 ' HA2' ' HA3' ' A' ' 61' ' ' GLY . . . 76.88 29.22 57.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.639 1.212 . . . . 0.0 110.988 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.853 HD12 ' HB2' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -77.64 -143.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.582 0.813 . . . . 0.0 109.342 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.704 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 6.8 mm-40 -37.81 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 110.185 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.705 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . 28.7 87.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.209 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.17 -39.05 3.03 Favored Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.404 1.065 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.508 ' HB ' ' CD ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -90.89 -160.68 0.74 Allowed 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.312 0.654 . . . . 0.0 110.346 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.918 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -158.21 150.38 21.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.704 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.4 m-30 -144.56 170.14 16.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -90.5 118.57 30.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.439 1.087 . . . . 0.0 109.222 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.072 HG22 HD22 ' A' ' 97' ' ' LEU . 53.1 t -76.41 141.16 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.566 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 170.53 156.91 11.79 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.458 1.099 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 1.0 OUTLIER -92.56 102.69 15.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.576 0.809 . . . . 0.0 110.225 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.66 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 3.7 t -106.18 149.36 26.89 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.135 . . . . 0.0 108.321 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . -175.43 166.56 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.602 1.189 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.503 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 45.8 p-90 -69.13 106.55 2.86 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 108.102 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.887 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -90.08 -46.3 14.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.584 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -90.65 -163.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.2 m -63.89 81.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 110.315 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.75 17.7 69.5 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.393 1.058 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.483 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 58.2 t -93.61 111.1 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.457 0.739 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.486 HD13 H173 ' A' ' 130' ' ' NCZ . 2.7 mt -62.7 101.17 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.887 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -114.35 141.37 47.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.59 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 37.3 m -101.52 155.46 18.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 108.334 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.489 ' N ' HD22 ' A' ' 48' ' ' ASN . 0.9 OUTLIER -80.63 165.04 48.41 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.551 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.97 -16.19 20.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.567 1.825 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.53 13.75 29.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.611 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.59 12.89 13.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 4.1 m-85 -105.48 91.35 3.73 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.508 1.13 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.414 ' OG ' ' CD2' ' A' ' 67' ' ' LEU . 37.3 t -144.32 81.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.548 ' O ' HG23 ' A' ' 55' ' ' VAL . 27.0 t -40.74 142.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.649 1.218 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.809 ' HB ' HG23 ' A' ' 34' ' ' VAL . 1.1 t -159.69 161.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.918 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -134.16 151.49 51.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.618 1.199 . . . . 0.0 110.347 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' A' ' 27' ' ' GLN . . . -105.4 136.76 44.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.597 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -72.15 152.71 42.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.28 -32.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.205 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 58' ' ' ASP . 22.7 t-20 -88.13 38.0 0.83 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.383 1.052 . . . . 0.0 109.221 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.705 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . . . 39.46 33.43 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.454 1.096 . . . . 0.0 111.033 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -90.56 99.7 12.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 110.021 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.909 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . . . -105.01 78.76 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.61 1.194 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.9 p -89.13 84.1 6.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.027 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.673 ' OG1' HG21 ' A' ' 55' ' ' VAL . 6.1 t -105.67 159.68 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 p -134.04 127.42 32.22 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.594 1.183 . . . . 0.0 110.075 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.565 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -155.1 173.02 17.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.242 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.621 ' OG1' HG22 ' A' ' 18' ' ' VAL . 93.0 m -106.51 144.39 33.25 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.515 1.134 . . . . 0.0 110.33 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.542 HG21 HD13 ' A' ' 13' ' ' LEU . 10.6 t -92.18 81.88 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.546 1.154 . . . . 0.0 109.393 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.448 ' HD3' ' CA ' ' A' ' 16' ' ' GLY . 8.4 mmt180 -90.5 65.35 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 111' ' ' SER . 4.5 ttm180 -40.27 -33.16 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -89.1 129.48 35.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.01 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.527 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 162.27 173.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.623 1.202 . . . . 0.0 110.951 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 5.7 tp10 -82.4 112.38 19.3 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.494 1.121 . . . . 0.0 110.231 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.39 162.47 43.85 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.337 1.023 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 1.5 m-85 -138.74 133.04 31.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.023 HD23 HG23 ' A' ' 81' ' ' THR . 0.3 OUTLIER -71.37 157.02 38.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 109.181 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -87.06 -17.81 32.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -47.23 86.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.23 -26.08 0.31 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.442 1.089 . . . . 0.0 110.972 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 1.023 HG23 HD23 ' A' ' 77' ' ' LEU . 1.8 t -89.78 169.63 11.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.385 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.588 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 11.0 ptt-85 -113.82 152.07 31.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.654 ' CD1' HG13 ' A' ' 40' ' ' VAL . 62.8 t-105 -104.57 -86.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 107.964 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.506 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 128.29 -83.64 0.33 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.873 HG22 ' H ' ' A' ' 87' ' ' ASP . 2.8 m 67.99 -60.83 0.4 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 0.763 . . . . 0.0 110.461 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.736 HG23 ' C ' ' A' ' 85' ' ' THR . 2.8 t 85.16 -18.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.218 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.873 ' H ' HG22 ' A' ' 85' ' ' THR . 6.3 t0 -139.21 100.98 4.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 36.7 t -91.73 44.85 1.19 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.8 t -90.63 -12.63 36.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.4 m -87.84 -53.51 4.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -93.49 111.85 23.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.387 1.055 . . . . 0.0 109.2 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.63 112.45 0.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 109.239 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.47 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -80.42 126.55 31.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 108.306 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.541 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 15.1 mt-30 -96.65 116.99 30.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.467 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 3.6 t -86.72 120.66 36.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.465 ' C ' HD23 ' A' ' 97' ' ' LEU . . . -176.97 178.32 48.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.555 1.159 . . . . 0.0 111.051 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.072 HD22 HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -105.75 130.15 53.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.255 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.563 ' HB3' ' C7 ' ' A' ' 130' ' ' NCZ . 97.2 p -102.26 167.82 9.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.592 1.182 . . . . 0.0 110.054 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.674 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -89.84 157.59 17.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.561 1.163 . . . . 0.0 109.354 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.81 4.99 50.19 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.5 -32.59 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.91 51.26 0.96 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.048 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 105' ' ' PRO . 15.9 m-20 -114.49 154.05 28.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -34.05 94.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.558 1.161 . . . . 0.0 111.083 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.662 ' HG2' ' C1 ' ' A' ' 130' ' ' NCZ . 18.3 Cg_endo -75.0 144.25 30.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.596 1.84 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.06 129.58 37.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.654 1.221 . . . . 0.0 110.37 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -157.45 143.84 9.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.381 1.051 . . . . 0.0 111.059 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.49 ' CG1' HD13 ' A' ' 110' ' ' ILE . 3.7 p -105.33 118.72 53.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.406 ' N ' ' HG2' ' A' ' 94' ' ' GLN . . . -61.07 86.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 1.026 HG23 HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -105.59 159.59 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.8 m 150.7 -50.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.036 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.404 ' C ' ' HB2' ' A' ' 11' ' ' SER . 31.6 t80 -170.57 -179.77 3.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m120 . . . . . 0 C--N 1.327 -0.399 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.662 ' C1 ' ' HG2' ' A' ' 105' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.559 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.884 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . 171.88 66.31 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.397 1.06 . . . . 0.0 109.287 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.41 ' O ' HG23 ' A' ' 6' ' ' THR . 18.0 Cg_endo -75.0 107.73 2.55 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 1.5 p 46.35 -146.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.397 1.061 . . . . 0.0 110.483 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.659 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -78.41 122.74 26.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -141.7 143.08 33.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.414 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.77 HG12 ' HD2' ' A' ' 9' ' ' PRO . 1.5 t -83.22 138.36 19.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.709 1.256 . . . . 0.0 109.15 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.5 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -38.5 -51.42 3.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.474 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.77 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.03 -174.39 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.455 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 6.9 m -152.56 -40.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.6 p -146.06 171.96 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.601 1.188 . . . . 0.0 109.954 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 13' ' ' LEU . . . 60.11 27.35 64.82 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.53 1.144 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.623 HD23 ' HB3' ' A' ' 111' ' ' SER . 0.2 OUTLIER -45.34 172.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 0.735 . . . . 0.0 109.286 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.551 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -132.95 149.73 52.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.07 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' SER . 6.6 p-10 -38.31 93.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.408 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 65.22 64.27 3.61 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.458 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 6.7 m -77.27 108.69 10.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.389 0.7 . . . . 0.0 110.507 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -75.62 119.83 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.407 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.694 HG11 ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -145.09 -178.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.6 1.187 . . . . 0.0 109.17 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -107.63 138.19 44.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.332 1.02 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 6' ' ' THR . 2.4 t -112.22 100.14 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.356 1.035 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.28 132.27 34.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -112.18 109.19 2.38 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.472 1.107 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.884 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -100.17 108.9 21.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.37 36.86 54.69 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.832 HD21 HD21 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -83.35 -124.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 0.775 . . . . 0.0 109.361 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.948 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 15.7 mm100 -40.87 -23.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.58 1.175 . . . . 0.0 110.379 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 67.14 9.38 6.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.353 1.033 . . . . 0.0 109.246 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 136.86 -11.25 3.94 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.493 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -80.3 -168.13 1.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 0.751 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.571 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -144.15 144.25 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.069 . . . . 0.0 109.402 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.852 ' HB2' HD12 ' A' ' 97' ' ' LEU . 2.0 m-30 -150.36 -167.03 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.511 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -113.78 127.86 56.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.933 HG23 HG11 ' A' ' 55' ' ' VAL . 1.1 t -89.53 150.87 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.103 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.636 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 168.78 152.12 7.55 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.681 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.3 104.78 16.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 0.708 . . . . 0.0 110.246 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.608 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 1.8 t -107.42 152.29 24.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.36 1.037 . . . . 0.0 108.264 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -178.09 161.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.418 ' CZ2' ' HA ' ' A' ' 91' ' ' ALA . 29.4 p-90 -62.44 116.19 4.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 107.944 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.03 HG22 ' OG1' ' A' ' 85' ' ' THR . 0.3 OUTLIER -102.61 -40.93 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.658 1.224 . . . . 0.0 109.228 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.5 ' HB2' HD22 ' A' ' 77' ' ' LEU . 1.8 t70 -83.65 -154.18 0.15 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.684 ' O ' HG23 ' A' ' 42' ' ' THR . 11.5 t -85.35 54.11 2.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.47 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.97 3.78 33.91 Favored Glycine 0 CA--C 1.532 1.156 0 O-C-N 124.466 1.104 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.435 HG23 ' HB3' ' A' ' 41' ' ' ASP . 8.6 t -91.53 114.8 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.804 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.483 ' CD2' H173 ' A' ' 130' ' ' NCZ . 0.2 OUTLIER -62.36 108.54 1.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.975 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -118.98 140.6 49.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.469 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 66.2 m -99.45 158.65 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 108.256 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.552 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -88.45 170.93 10.18 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.379 1.05 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.01 -12.89 21.5 Favored 'Trans proline' 0 C--N 1.358 1.059 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.21 16.69 24.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.382 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.636 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.6 t70 -88.23 4.87 44.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -108.23 93.38 4.5 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.474 ' O ' ' C ' ' A' ' 54' ' ' SER . 8.6 t -150.38 86.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.051 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 53' ' ' SER . 88.5 p -33.04 148.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 110.065 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.933 HG11 HG23 ' A' ' 34' ' ' VAL . 9.3 p -153.47 159.36 3.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.676 1.235 . . . . 0.0 109.339 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.531 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 1.3 m -152.41 138.05 17.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.396 1.06 . . . . 0.0 110.481 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.948 ' HB3' ' HB2' ' A' ' 27' ' ' GLN . . . -105.22 130.23 53.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -59.27 159.24 7.97 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.335 1.022 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.81 -33.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.209 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' ASP . 22.7 t30 -88.18 36.44 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 0.0 109.343 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.644 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.18 38.05 1.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.411 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 16.4 m -98.82 94.37 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.108 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.925 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.56 89.24 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 109.337 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 m -97.33 80.39 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.846 HG21 HG21 ' A' ' 34' ' ' VAL . 3.9 t -108.08 132.36 53.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.1 p -95.88 142.12 28.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.909 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.821 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -152.96 168.08 27.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.631 1.207 . . . . 0.0 109.225 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.821 ' H ' HD13 ' A' ' 67' ' ' LEU . 14.9 t -105.02 134.87 47.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 110.419 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.515 HG12 HD22 ' A' ' 13' ' ' LEU . 21.7 t -87.49 88.1 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.633 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -87.23 87.5 7.45 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.477 1.111 . . . . 0.0 110.363 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.511 ' CZ ' HD11 ' A' ' 13' ' ' LEU . 4.3 ttm-85 -53.7 -34.05 57.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.302 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.618 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 86.5 p -104.79 128.48 52.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.375 1.047 . . . . 0.0 110.037 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.633 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -177.14 176.08 1.43 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.583 1.177 . . . . 0.0 111.065 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.43 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 2.1 tp10 -94.15 109.71 21.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 110.347 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.7 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -72.52 153.62 49.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.4 1.063 . . . . 0.0 110.977 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.53 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 2.6 m-85 -128.72 113.52 15.46 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 0.789 . . . . 0.0 111.01 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.799 HD21 ' HB2' ' A' ' 83' ' ' TRP . 23.6 mt -53.21 155.36 2.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -74.3 -31.87 62.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.48 -50.69 64.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.49 -22.86 0.56 Allowed Glycine 0 CA--C 1.532 1.128 0 O-C-N 124.583 1.177 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 43.9 m -80.7 153.0 28.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.611 0.83 . . . . 0.0 110.36 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.53 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -99.05 135.59 40.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.369 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.799 ' HB2' HD21 ' A' ' 77' ' ' LEU . 34.0 t-105 -97.53 -89.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.017 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.504 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 146.12 -75.39 0.29 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 1.03 ' OG1' HG22 ' A' ' 40' ' ' VAL . 15.7 m 68.7 -55.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.589 0.817 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.618 ' O ' ' HA ' ' A' ' 72' ' ' SER . 61.6 t 74.38 -104.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.371 1.044 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.449 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -62.49 110.54 1.71 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.378 1.048 . . . . 0.0 109.309 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 38.3 t -87.84 48.22 1.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 0.0 108.322 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.1 t -93.08 -17.93 23.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.5 m -89.1 -56.92 3.08 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.527 1.142 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.436 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -91.37 147.36 23.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.86 119.69 25.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.26 120.9 26.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 108.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 10.6 mt-30 -96.64 114.12 25.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 110.287 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.681 HG22 ' HG2' ' A' ' 36' ' ' GLN . 12.7 t -88.11 113.42 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.535 ' C ' H183 ' A' ' 130' ' ' NCZ . . . -165.99 179.14 40.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.353 1.033 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.852 HD12 ' HB2' ' A' ' 32' ' ' TYR . 1.4 pt? -107.4 144.09 34.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 0.721 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 p -89.88 155.73 18.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -95.81 157.77 15.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.55 -0.82 31.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.58 -8.98 27.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 62.68 51.09 58.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.339 1.024 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 105' ' ' PRO . 69.5 m-20 -125.05 150.54 46.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -35.43 96.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.39 1.056 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.3 Cg_endo -75.09 176.62 9.68 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.539 1.81 . . . . 0.0 110.961 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.67 106.57 18.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -124.47 132.19 8.15 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.556 1.16 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 110' ' ' ILE . 6.7 p -101.55 119.2 49.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 109.3 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.0 83.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.378 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.542 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -101.47 125.34 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.623 ' HB3' HD23 ' A' ' 13' ' ' LEU . 2.3 p 156.65 -53.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.947 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -165.13 97.56 0.72 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.6 1.188 . . . . 0.0 109.277 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.608 ' C6 ' ' CB ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.718 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -145.48 47.31 0.65 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.718 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -75.08 53.7 3.45 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.611 1.848 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 3' ' ' PRO . 30.0 p 47.74 -121.11 1.27 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 110.34 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 1.026 ' HB2' HD22 ' A' ' 26' ' ' LEU . . . -88.59 122.76 32.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.469 HG21 ' HG2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -148.54 151.84 35.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.512 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.048 HG12 ' HD2' ' A' ' 9' ' ' PRO . 5.4 t -83.93 133.52 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.582 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.68 -60.78 0.43 Allowed Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.577 1.173 . . . . 0.0 110.346 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.048 ' HD2' HG12 ' A' ' 7' ' ' VAL . 17.9 Cg_endo -75.04 -160.35 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.929 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.2 m -152.64 -62.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.056 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.523 ' CB ' ' HA ' ' A' ' 112' ' ' PHE . 7.6 t -125.26 162.08 25.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.61 1.194 . . . . 0.0 109.944 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.12 20.46 62.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.575 1.172 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.799 HD21 ' HG2' ' A' ' 9' ' ' PRO . 1.1 mp -73.49 160.44 31.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.228 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.9 t -123.83 152.01 42.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.992 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.6 80.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 124.77 37.35 0.55 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.097 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.0 m -88.04 104.87 17.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 0.735 . . . . 0.0 110.48 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.55 HG22 ' OG1' ' A' ' 68' ' ' THR . 11.9 t -75.1 119.29 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.951 HG11 ' HG3' ' A' ' 9' ' ' PRO . 2.4 m -141.47 176.95 3.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 4.3 ttpm? -110.09 129.17 55.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 0.0 109.345 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' THR . 2.7 t -101.95 108.74 24.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.424 1.078 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -90.12 132.92 35.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.237 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -108.28 87.17 0.48 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.513 1.133 . . . . 0.0 111.094 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.41 89.38 7.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 109.419 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.92 30.03 9.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.026 HD22 ' HB2' ' A' ' 5' ' ' ALA . 7.5 tp -78.48 -129.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.994 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.6 mp0 -71.39 98.01 1.72 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.0 91.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.62 1.2 . . . . 0.0 109.423 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 66.9 6.91 39.86 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.402 1.064 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.593 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -89.49 177.49 6.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 0.73 . . . . 0.0 110.294 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.841 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -146.86 116.91 7.28 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.498 1.123 . . . . 0.0 109.224 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.885 ' HB2' HD12 ' A' ' 97' ' ' LEU . 17.0 m-30 -123.22 -166.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.046 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 2.8 t0 -103.41 121.46 42.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.726 HG23 HG11 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -90.64 139.26 17.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.552 1.158 . . . . 0.0 109.412 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.545 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 174.0 153.42 9.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 0.0 111.103 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.763 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -92.54 111.16 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 0.0 110.278 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.688 ' SG ' HD11 ' A' ' 45' ' ' LEU . 1.8 t -108.79 153.26 23.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -177.3 159.09 1.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -64.35 115.71 5.35 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.499 1.125 . . . . 0.0 108.049 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.996 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -97.14 -42.6 11.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.238 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.595 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.9 OUTLIER -83.53 -153.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.35 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 42' ' ' THR . 10.2 t -80.85 52.68 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.366 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.11 0.26 35.64 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.58 1.175 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.61 HG11 HD23 ' A' ' 77' ' ' LEU . 18.9 t -81.83 112.43 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.631 0.842 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.688 HD11 ' SG ' ' A' ' 37' ' ' CYS . 2.2 tm? -60.0 107.9 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.249 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.996 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -119.74 138.15 53.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.085 . . . . 0.0 109.283 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.601 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 59.0 m -101.15 157.45 16.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 108.371 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.615 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 1.5 m120 -86.86 165.14 33.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.445 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -74.88 -9.64 21.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.73 12.23 31.2 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.559 ' OD1' ' C8 ' ' A' ' 130' ' ' NCZ . 0.0 OUTLIER -87.98 7.79 29.48 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.474 1.109 . . . . 0.0 109.377 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 11.5 m-85 -105.51 87.75 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.183 . . . . 0.0 111.0 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.54 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -148.58 86.37 1.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.367 1.042 . . . . 0.0 109.993 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' SER . 54.2 p -36.07 149.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.025 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.726 HG11 HG23 ' A' ' 34' ' ' VAL . 9.9 p -151.09 157.07 5.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 109.239 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.841 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -148.08 137.64 22.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 1.055 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.65 131.6 53.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -51.3 159.56 0.66 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.94 -29.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.43 ' N ' ' C ' ' A' ' 58' ' ' ASP . 3.4 t-20 -88.71 34.09 0.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.91 43.68 6.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.7 OUTLIER -107.11 96.08 6.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 0.714 . . . . 0.0 110.035 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 1.055 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.97 87.24 2.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.1 p -94.85 78.02 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.87 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.666 ' HB ' HG23 ' A' ' 55' ' ' VAL . 1.2 t -108.8 132.27 54.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 15.2 p -98.96 143.62 29.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.669 HD12 ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -149.4 173.81 13.14 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.55 ' OG1' HG22 ' A' ' 18' ' ' VAL . 17.5 m -105.59 130.25 53.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.608 1.192 . . . . 0.0 110.351 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 69' ' ' VAL . 38.7 t -87.74 87.34 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.173 . . . . 0.0 109.32 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.632 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 35.4 mtt-85 -95.48 75.39 3.3 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.613 ' NH1' HG22 ' A' ' 89' ' ' THR . 1.4 ttp85 -37.47 -30.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.285 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.518 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 41.9 m -94.87 116.24 28.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.632 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -160.17 161.06 33.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.448 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 2.3 tp10 -86.37 94.23 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.074 . . . . 0.0 110.298 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.877 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -52.45 150.74 8.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -134.99 106.51 6.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 0.728 . . . . 0.0 110.934 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 81' ' ' THR . 1.6 mp -49.49 145.7 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -70.84 -25.36 62.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.64 -29.75 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.621 1.201 . . . . 0.0 109.237 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.7 -10.86 6.34 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.545 1.153 . . . . 0.0 111.072 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.781 ' O ' HD12 ' A' ' 77' ' ' LEU . 16.7 m -89.82 145.78 24.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.337 0.669 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -94.73 135.67 35.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.595 ' CE3' ' OD2' ' A' ' 41' ' ' ASP . 72.2 t-105 -103.79 -90.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 107.98 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.473 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 145.17 -81.86 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.693 ' OG1' HG22 ' A' ' 40' ' ' VAL . 2.2 m 66.76 -56.98 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 110.507 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.59 HG12 ' N ' ' A' ' 87' ' ' ASP . 95.2 t 71.31 -105.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 124.421 1.075 . . . . 0.0 109.257 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.59 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -50.59 110.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 41.9 t -90.06 43.9 1.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 108.248 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.613 HG22 ' NH1' ' A' ' 71' ' ' ARG . 71.8 p -88.12 -21.89 24.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 m -88.53 -56.75 3.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.362 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.435 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.72 155.19 18.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.645 1.216 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.08 126.66 36.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.16 . . . . 0.0 109.199 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.76 121.52 33.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.59 1.181 . . . . 0.0 108.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 16.4 mt-30 -99.15 113.15 25.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.351 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.535 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.6 t -87.54 113.16 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.387 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -161.62 176.02 38.14 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.413 1.07 . . . . 0.0 111.062 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.934 HD11 ' OE1' ' A' ' 27' ' ' GLN . 1.5 pt? -105.71 134.74 48.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.395 0.703 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.519 ' HB3' ' C8 ' ' A' ' 130' ' ' NCZ . 60.7 p -86.72 136.64 32.94 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.581 1.176 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -70.18 160.8 31.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.385 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.42 0.3 46.73 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.393 1.058 . . . . 0.0 109.358 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -100.13 -11.5 20.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.236 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.35 52.82 11.65 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.43 1.081 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLY . 78.2 m-20 -121.55 144.07 48.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.579 0.811 . . . . 0.0 109.32 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.72 97.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.495 ' HG2' ' C3 ' ' A' ' 130' ' ' NCZ . 18.5 Cg_endo -75.05 168.2 25.33 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.11 108.15 19.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.62 1.2 . . . . 0.0 110.227 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -116.63 139.48 15.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 95' ' ' VAL . 14.9 p -100.6 122.88 53.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 0.73 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.96 88.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.609 HG13 HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -98.79 139.06 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.584 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.3 OUTLIER 155.84 -55.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.389 1.055 . . . . 0.0 109.981 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.523 ' HA ' ' CB ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -169.75 156.42 6.37 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.466 ' N ' ' HB2' ' A' ' 11' ' ' SER . 1.4 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.605 ' C5 ' ' HB2' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -156.14 66.4 4.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.165 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.602 ' O ' HG23 ' A' ' 6' ' ' THR . 18.4 Cg_endo -74.95 104.81 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.457 ' O ' ' O ' ' A' ' 22' ' ' ALA . 71.3 p 44.36 -141.13 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 110.399 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.768 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -74.61 117.16 16.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -139.55 146.28 39.7 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.987 HG13 ' HB ' ' A' ' 19' ' ' VAL . 2.5 t -86.98 117.9 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.777 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -53.41 -70.31 0.29 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.913 ' HG2' HG12 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.98 55.56 3.97 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.642 ' HA ' HD11 ' A' ' 13' ' ' LEU . 91.5 p -88.05 24.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.46 126.62 53.65 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.414 1.071 . . . . 0.0 110.084 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.95 49.42 13.32 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.642 HD11 ' HA ' ' A' ' 10' ' ' SER . 3.2 mp -62.95 172.35 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -139.48 154.35 47.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.04 87.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 112.86 37.39 1.4 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.568 HG22 HG13 ' A' ' 19' ' ' VAL . 1.1 m -93.15 121.6 34.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.42 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -74.34 114.62 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.987 ' HB ' HG13 ' A' ' 7' ' ' VAL . 26.8 m -121.3 159.17 23.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.493 1.12 . . . . 0.0 109.235 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -106.63 113.9 27.68 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.55 HG12 ' HB1' ' A' ' 5' ' ' ALA . 3.1 t -88.98 93.89 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.46 117.36 28.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.449 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -98.53 97.94 1.95 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -95.09 98.47 10.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.769 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.29 32.82 10.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.876 HD11 HD21 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -95.23 -142.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 0.0 109.364 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.868 HE22 HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -49.59 90.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.08 75.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.606 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 85.27 3.28 87.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.505 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -93.67 -174.49 3.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 0.747 . . . . 0.0 110.453 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.741 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -146.97 145.04 29.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.622 1.201 . . . . 0.0 109.226 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.637 ' CD2' ' CG ' ' A' ' 27' ' ' GLN . 13.0 m-30 -142.98 -167.86 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 5.3 p-10 -103.39 114.33 28.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.435 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.847 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -88.32 133.83 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.619 1.199 . . . . 0.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.639 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . -178.17 153.41 12.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.356 1.035 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.662 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -92.33 104.0 16.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.232 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.572 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 1.8 t -106.65 151.16 25.44 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 177.05 163.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.7 m-90 -60.21 110.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 107.911 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.001 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -100.04 -39.24 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.429 1.081 . . . . 0.0 109.348 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.59 ' OD2' ' CZ3' ' A' ' 83' ' ' TRP . 3.7 t0 -84.63 -156.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.347 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.743 ' O ' HG23 ' A' ' 42' ' ' THR . 6.6 t -82.44 54.42 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.14 1.61 35.84 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.391 1.057 . . . . 0.0 111.054 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.483 HG23 ' HB3' ' A' ' 41' ' ' ASP . 4.9 t -89.38 122.15 40.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.602 0.825 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.517 HD21 H173 ' A' ' 130' ' ' NCZ . 0.4 OUTLIER -67.84 105.7 2.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.001 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -117.36 140.65 49.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.563 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 58.6 m -98.3 157.7 16.02 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 108.289 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.599 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -82.07 163.36 53.45 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.38 1.05 . . . . 0.0 109.347 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 73' ' ' PHE . 18.1 Cg_endo -74.98 -16.2 20.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.39 16.43 26.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.611 1.194 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.639 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -88.25 9.48 22.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.462 ' CD2' ' O ' ' A' ' 49' ' ' PRO . 1.8 m-85 -105.57 87.08 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.508 ' HB2' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -151.14 87.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 24.0 p -43.98 139.1 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.868 HG13 HE22 ' A' ' 27' ' ' GLN . 5.6 p -126.01 161.65 31.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.379 1.05 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.741 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -147.36 126.62 13.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.417 1.073 . . . . 0.0 110.518 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 1.013 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -104.07 132.21 50.55 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -50.29 158.66 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.611 1.195 . . . . 0.0 109.367 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.45 -28.87 0.14 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 58' ' ' ASP . 10.9 t30 -88.18 33.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.34 42.53 5.62 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.355 1.034 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.414 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 1.5 m -106.47 98.85 8.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.282 0.637 . . . . 0.0 109.969 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 1.013 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.12 79.2 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.628 1.205 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 m -94.29 71.92 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.683 HG21 HG23 ' A' ' 55' ' ' VAL . 70.2 p -111.39 136.99 49.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.3 p -99.15 142.07 31.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.758 HD12 ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -137.04 170.47 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.788 HG22 ' HG2' ' A' ' 70' ' ' ARG . 35.1 m -94.81 129.7 41.67 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.698 HG22 HD11 ' A' ' 110' ' ' ILE . 47.1 t -89.71 87.06 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.788 ' HG2' HG22 ' A' ' 68' ' ' THR . 0.6 OUTLIER -106.5 79.8 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.204 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.473 ' CD ' ' HB3' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -56.36 -29.6 61.61 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.426 1.079 . . . . 0.0 110.247 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 0.6 OUTLIER -85.6 111.91 20.49 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.351 1.032 . . . . 0.0 109.991 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 179.53 164.4 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 111.053 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.485 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 12.8 tt0 -81.42 118.74 22.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.371 1.045 . . . . 0.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.67 168.6 43.9 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.441 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -140.45 122.5 15.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.939 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.663 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -63.41 137.89 58.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -57.85 -26.84 62.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.89 -52.87 46.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 154.71 -21.7 0.61 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.466 1.104 . . . . 0.0 111.051 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.506 ' O ' HD22 ' A' ' 77' ' ' LEU . 91.4 m -87.34 148.07 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 0.815 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -90.88 141.98 28.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.621 1.2 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.612 ' HB2' HD11 ' A' ' 77' ' ' LEU . 58.1 t-105 -105.64 -90.98 0.4 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.501 1.126 . . . . 0.0 108.073 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.504 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 146.23 -80.66 0.22 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.542 ' O ' ' HB ' ' A' ' 86' ' ' VAL . 5.2 m 68.85 -56.41 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.602 0.825 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.542 ' HB ' ' O ' ' A' ' 85' ' ' THR . 60.5 t 76.82 -103.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 0.0 109.24 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.421 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -65.19 89.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.602 1.189 . . . . 0.0 109.371 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 13.7 t -73.59 60.54 0.68 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.474 1.109 . . . . 0.0 108.353 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.599 ' O ' ' CZ ' ' A' ' 112' ' ' PHE . 9.8 t -103.6 -12.15 17.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.4 m -89.98 -57.86 2.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 110.524 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.421 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.05 124.91 35.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.7 120.61 9.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.4 1.063 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.408 ' HB2' ' NH1' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -90.26 126.17 35.75 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.493 1.12 . . . . 0.0 108.37 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.555 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 6.4 mt-30 -98.06 110.63 23.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.036 HG21 HD12 ' A' ' 110' ' ' ILE . 19.1 t -86.54 105.3 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -153.85 175.4 32.16 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.546 1.154 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.876 HD21 HD11 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -108.77 135.71 49.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 0.739 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.44 133.9 36.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.941 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.63 160.97 31.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.94 11.36 16.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.43 -24.7 18.76 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.419 1.074 . . . . 0.0 109.247 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 110.31 38.68 1.61 Allowed Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.426 1.079 . . . . 0.0 111.063 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.65 152.63 48.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.468 0.746 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.427 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -134.89 62.77 0.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.2 Cg_endo -75.08 -26.35 10.87 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.456 1.766 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.92 142.54 35.04 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.79 109.76 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.944 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 95' ' ' VAL . 8.9 p -92.7 134.26 31.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.489 0.758 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.09 94.72 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.549 1.156 . . . . 0.0 109.375 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 1.036 HD12 HG21 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -71.02 118.54 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 10' ' ' SER . 7.9 t -73.4 57.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.832 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 89' ' ' THR . 19.9 p90 -34.89 153.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.603 1.189 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.34 1.025 . . . . 0.0 109.337 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.572 ' C6 ' ' CB ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.445 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -172.35 107.84 0.35 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.37 1.044 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.427 ' O ' HG23 ' A' ' 6' ' ' THR . 18.1 Cg_endo -74.99 129.66 12.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.574 ' HB ' HD23 ' A' ' 26' ' ' LEU . 1.5 p 40.45 -149.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.434 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.416 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -78.72 117.55 19.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.565 1.165 . . . . 0.0 109.347 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -139.53 146.25 39.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.372 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.924 ' HB ' HD13 ' A' ' 110' ' ' ILE . 0.9 OUTLIER -87.43 127.75 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.733 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -28.79 -69.43 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 110.35 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.896 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.96 -159.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.559 ' HA ' HD11 ' A' ' 110' ' ' ILE . 6.1 m -148.43 -79.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.964 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.426 ' OG ' ' HA ' ' A' ' 112' ' ' PHE . 34.0 t -107.13 160.89 15.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.44 1.088 . . . . 0.0 110.072 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.82 30.19 32.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.417 1.073 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.643 ' CD1' HG11 ' A' ' 69' ' ' VAL . 9.7 mt -78.45 164.94 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.234 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.609 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.0 OUTLIER -125.87 149.7 48.47 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.458 1.099 . . . . 0.0 109.919 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -56.61 77.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.609 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 123.72 39.37 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.064 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 14' ' ' SER . 59.3 m -88.87 110.9 21.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.399 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -73.48 124.56 30.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.631 HG21 HG13 ' A' ' 7' ' ' VAL . 4.6 m -143.08 160.52 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -95.58 125.1 39.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.406 ' HB ' ' O ' ' A' ' 65' ' ' THR . 58.9 t -102.54 98.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -90.35 123.73 34.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.432 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -110.05 82.3 0.3 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -82.0 116.91 21.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.392 0.701 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.0 40.72 98.49 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.539 1.149 . . . . 0.0 111.053 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.644 HD13 ' N ' ' A' ' 27' ' ' GLN . 3.4 tm? -103.69 -94.65 0.32 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.62 0.835 . . . . 0.0 109.371 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.644 ' N ' HD13 ' A' ' 26' ' ' LEU . 15.0 mt-30 -48.81 -21.77 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.401 1.063 . . . . 0.0 110.292 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 71.26 6.65 5.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.671 1.232 . . . . 0.0 109.363 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.58 0.54 23.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.585 1.178 . . . . 0.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -80.54 -158.86 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 0.738 . . . . 0.0 110.428 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.729 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -136.65 115.54 12.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.412 1.07 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.563 ' CD1' ' HA ' ' A' ' 99' ' ' ASP . 16.3 m-30 -122.75 163.96 19.21 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.432 1.082 . . . . 0.0 110.985 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' SER . 22.4 m-20 -88.82 119.26 29.15 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.891 HG21 HG21 ' A' ' 65' ' ' THR . 61.0 t -78.04 131.86 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.369 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.626 ' O ' H182 ' A' ' 130' ' ' NCZ . . . 173.42 150.62 7.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.746 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -93.93 113.97 26.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 110.278 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.569 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 0.7 OUTLIER -108.72 148.38 30.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.254 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -170.06 159.75 7.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.209 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 14.9 p90 -69.92 111.72 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 108.021 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.802 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -95.07 -45.36 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.593 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -90.25 -163.32 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.402 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 m -66.46 83.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.353 1.033 . . . . 0.0 110.347 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.9 25.09 71.83 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.488 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 74.2 t -102.84 109.22 26.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 109.291 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.485 ' CD2' H173 ' A' ' 130' ' ' NCZ . 0.2 OUTLIER -62.16 99.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.802 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -110.77 140.19 45.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.638 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 16.3 m -104.4 155.6 18.65 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.538 1.149 . . . . 0.0 108.225 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.637 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -84.97 169.48 16.25 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.64 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.13 -10.25 20.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.56 13.68 29.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.4 1.062 . . . . 0.0 109.384 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.586 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -90.07 6.83 40.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 2.2 m-85 -106.62 91.38 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -145.27 78.17 1.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 110.056 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p -45.69 139.34 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.65 HG21 ' OG1' ' A' ' 65' ' ' THR . 0.4 OUTLIER -164.0 161.33 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.729 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -132.79 158.41 42.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 110.29 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 1.085 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.89 152.95 23.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -66.06 158.76 27.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.234 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.61 -29.41 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 0.0 109.24 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 58' ' ' ASP . 3.5 t-20 -88.35 34.54 0.75 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.525 1.141 . . . . 0.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.59 41.45 3.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.43 1.081 . . . . 0.0 111.065 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 14.0 m -108.87 100.7 9.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 0.798 . . . . 0.0 110.037 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 1.085 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.19 86.86 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.355 1.035 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.8 p -88.51 76.87 8.14 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.585 1.178 . . . . 0.0 109.852 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.891 HG21 HG21 ' A' ' 34' ' ' VAL . 2.5 t -106.38 140.13 39.78 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 0.0 110.493 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.53 ' O ' HD22 ' A' ' 67' ' ' LEU . 51.1 p -103.84 139.31 39.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.53 HD22 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -145.34 168.73 19.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.2 t -104.21 133.78 48.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.373 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.643 HG11 ' CD1' ' A' ' 13' ' ' LEU . 81.3 t -88.44 85.95 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.684 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 2.6 mtp180 -89.5 71.74 7.95 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.518 1.137 . . . . 0.0 110.246 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 25.3 ttm180 -34.88 -33.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.526 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 1.0 OUTLIER -97.49 121.02 38.91 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.114 . . . . 0.0 110.08 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.684 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -167.62 170.04 11.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.938 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.436 ' OE1' ' CA ' ' A' ' 84' ' ' GLY . 5.0 tp10 -90.8 110.8 22.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.646 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -68.61 138.98 32.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.623 1.202 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.58 ' CE2' ' HG2' ' A' ' 82' ' ' ARG . 4.6 m-85 -122.91 109.88 14.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.973 HD23 HG23 ' A' ' 81' ' ' THR . 0.2 OUTLIER -58.43 132.79 54.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.391 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -59.29 -22.19 60.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -53.14 61.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.357 1.036 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.22 -27.04 0.43 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.973 HG23 HD23 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -82.57 150.04 27.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 0.726 . . . . 0.0 110.434 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.58 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -98.76 138.29 36.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.593 ' CE3' ' OD1' ' A' ' 41' ' ' ASP . 69.1 t-105 -100.67 -89.59 0.34 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.516 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 142.04 -81.3 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.637 ' OG1' HG22 ' A' ' 40' ' ' VAL . 1.2 m 69.02 -57.64 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 110.358 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.543 ' HB ' ' O ' ' A' ' 85' ' ' THR . 59.9 t 75.99 -102.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.415 ' N ' HG12 ' A' ' 86' ' ' VAL . 2.6 t0 -54.64 106.83 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 44.8 t -86.43 47.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.334 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.3 t -92.87 -20.86 20.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 m -88.35 -57.12 3.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.45 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.412 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.47 148.02 23.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.171 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -85.96 124.12 32.05 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -90.15 121.48 32.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.474 1.109 . . . . 0.0 108.401 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.583 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 29.1 mt-30 -96.31 112.45 24.19 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.639 1.212 . . . . 0.0 110.231 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.584 ' CG2' HG22 ' A' ' 110' ' ' ILE . 2.5 t -87.95 126.02 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.543 ' C ' HD13 ' A' ' 97' ' ' LEU . . . -177.14 169.53 41.85 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.898 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -106.94 113.38 26.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 0.743 . . . . 0.0 109.359 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 33' ' ' ASP . 8.9 t -98.12 164.13 12.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.923 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.563 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -52.76 163.49 0.46 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.84 -38.82 36.76 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.04 -27.84 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.227 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ASP . . . 94.42 20.29 30.16 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.555 1.159 . . . . 0.0 111.071 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -89.63 143.88 26.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.59 0.817 . . . . 0.0 109.196 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.52 123.04 5.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.56 1.163 . . . . 0.0 111.039 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.529 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.5 Cg_endo -74.93 55.38 3.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.849 ' O ' H181 ' A' ' 130' ' ' NCZ . 1.4 mp0 -90.84 99.62 12.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 172.42 145.36 4.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.396 1.06 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 11.2 p -105.4 130.61 56.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 O-C-N 124.438 0.728 . . . . 0.0 109.219 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -66.61 90.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.924 HD13 ' HB ' ' A' ' 7' ' ' VAL . 0.2 OUTLIER -112.18 144.33 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.383 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.3 p 154.18 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.041 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.426 ' HA ' ' OG ' ' A' ' 11' ' ' SER . 11.5 t80 -176.59 169.89 2.52 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.472 1.108 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.401 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.849 H181 ' O ' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.733 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -64.74 -50.78 62.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.379 1.049 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.733 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.2 Cg_endo -75.03 -166.98 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.6 1.842 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.621 ' HB ' HD22 ' A' ' 26' ' ' LEU . 3.9 p 44.97 -137.98 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.453 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.661 ' N ' HD23 ' A' ' 26' ' ' LEU . . . -79.69 133.0 36.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.594 1.184 . . . . 0.0 109.228 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.744 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -151.19 179.46 8.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.795 HG11 HD11 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -116.63 134.23 60.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.511 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -43.05 -57.26 5.3 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.56 1.162 . . . . 0.0 110.379 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.896 ' CG ' HG21 ' A' ' 19' ' ' VAL . 18.0 Cg_endo -74.99 -159.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.613 1.849 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' GLY . 50.4 m -148.66 -45.4 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.055 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 13' ' ' LEU . 67.7 m -69.37 63.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.657 ' CA ' HG21 ' A' ' 69' ' ' VAL . . . -39.42 -27.55 0.09 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.935 ' O ' HD12 ' A' ' 13' ' ' LEU . 4.0 pp -81.29 60.61 4.45 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.452 0.736 . . . . 0.0 109.238 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.659 ' O ' ' C ' ' A' ' 15' ' ' ASP . 41.3 t -127.43 81.8 2.04 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.618 1.199 . . . . 0.0 110.059 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.659 ' C ' ' O ' ' A' ' 14' ' ' SER . 2.1 m-20 16.73 78.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 69' ' ' VAL . . . 36.82 66.87 0.46 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.428 1.08 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.503 ' O ' HG12 ' A' ' 69' ' ' VAL . 1.0 OUTLIER -73.87 124.49 26.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 110.428 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.0 OUTLIER -93.85 126.9 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.896 HG21 ' CG ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -149.09 -168.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.368 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -117.71 138.45 52.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.744 HG13 ' O ' ' A' ' 6' ' ' THR . 2.6 t -104.28 114.98 45.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.94 139.99 30.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.434 1.084 . . . . 0.0 109.119 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.617 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -118.72 101.61 0.89 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.02 104.18 16.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.353 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.52 30.23 25.01 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.85 ' HG ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -90.87 -144.4 0.18 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 0.77 . . . . 0.0 109.336 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.928 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 21.0 mm-40 -51.51 89.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.81 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 74.86 7.21 80.5 Favored Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.548 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -89.81 -178.2 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.797 . . . . 0.0 110.335 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.613 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -137.23 116.67 12.79 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.121 . . . . 0.0 109.374 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 1.003 ' HB2' HD12 ' A' ' 97' ' ' LEU . 2.9 m-30 -118.45 -168.06 1.47 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 2.8 t0 -122.63 117.09 24.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 109.164 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.976 HG23 HG21 ' A' ' 55' ' ' VAL . 1.3 t -74.51 142.62 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.632 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 174.73 152.86 9.5 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.482 1.114 . . . . 0.0 111.064 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.598 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.74 101.26 13.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.629 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 5.3 t -106.22 149.83 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 108.333 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 92' ' ' ALA . . . -177.25 159.87 1.64 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.7 p90 -64.71 114.23 4.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 108.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.967 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -97.8 -42.73 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.603 ' OD1' HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -90.9 -161.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.7 m -68.25 79.16 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.75 25.04 75.99 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.547 1.154 . . . . 0.0 110.941 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.575 HG11 HD13 ' A' ' 77' ' ' LEU . 88.1 t -103.43 110.06 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.404 0.708 . . . . 0.0 109.378 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.629 HD22 H173 ' A' ' 130' ' ' NCZ . 14.9 mt -58.32 102.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.06 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.967 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -114.23 130.16 56.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.588 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 17.5 m -97.03 156.34 16.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 108.405 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.599 ' ND2' ' CE1' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -85.29 163.4 45.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.98 -8.77 20.39 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.72 15.78 23.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 109.265 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.632 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -88.35 12.9 12.88 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.53 1.144 . . . . 0.0 109.218 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 1.1 m-85 -105.6 94.95 5.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.494 ' HB3' HG12 ' A' ' 34' ' ' VAL . 42.4 t -145.17 81.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.079 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.9 p -45.7 133.14 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.37 1.044 . . . . 0.0 110.044 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.976 HG21 HG23 ' A' ' 34' ' ' VAL . 7.0 m -151.29 169.06 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.241 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.613 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -145.71 147.1 31.59 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.548 1.155 . . . . 0.0 110.39 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.928 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -107.5 146.87 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -66.49 158.24 30.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.625 1.203 . . . . 0.0 109.225 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.39 -28.01 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.443 ' N ' ' C ' ' A' ' 58' ' ' ASP . 5.1 t30 -88.66 33.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 44.6 40.6 6.51 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.638 1.211 . . . . 0.0 111.062 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -100.9 96.46 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 0.0 109.96 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.748 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -95.1 101.29 13.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.343 1.027 . . . . 0.0 109.363 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.4 m -100.16 83.8 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.373 1.045 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.772 HG21 HG21 ' A' ' 34' ' ' VAL . 2.6 t -106.54 167.12 10.06 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.8 p -146.81 139.32 24.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.077 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' A' ' 67' ' ' LEU . 7.1 tp -166.92 177.0 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.68 HG23 ' HG3' ' A' ' 70' ' ' ARG . 15.1 t -107.5 145.79 32.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.477 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.657 HG21 ' CA ' ' A' ' 12' ' ' GLY . 15.0 p -89.0 84.88 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.68 ' HG3' HG23 ' A' ' 68' ' ' THR . 9.2 mtt180 -88.21 77.98 8.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.347 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -40.31 -39.89 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 2.2 p -83.8 115.2 22.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.599 ' CE1' ' ND2' ' A' ' 48' ' ' ASN . 7.2 p90 -159.14 155.34 27.05 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.426 1.079 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 3.5 tp10 -86.93 93.23 9.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.673 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -50.03 155.07 2.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -143.4 107.31 4.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 0.726 . . . . 0.0 110.99 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.712 HD21 ' HB2' ' A' ' 83' ' ' TRP . 4.5 mt -48.58 129.67 16.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -54.26 -29.39 46.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.955 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -55.56 -50.79 69.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.375 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.44 -25.61 0.53 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.939 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.0 m -75.78 141.25 42.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.385 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -93.85 138.77 31.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.712 ' HB2' HD21 ' A' ' 77' ' ' LEU . 67.1 t-105 -105.13 -87.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 108.043 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.501 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 140.12 -83.01 0.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 111.072 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.502 ' OG1' HG22 ' A' ' 40' ' ' VAL . 1.4 m 67.79 -57.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.389 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 85' ' ' THR . 61.9 t 72.34 -103.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.474 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -54.04 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.499 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 49.4 t -74.81 59.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 108.35 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 t -100.61 -25.05 14.3 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.364 1.04 . . . . 0.0 110.338 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 m -89.06 -47.43 8.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.76 147.02 23.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.492 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -87.89 118.01 27.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.404 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -91.93 123.22 35.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 108.257 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.492 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 8.4 mt-30 -97.7 115.59 28.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.351 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.598 HG22 ' HG2' ' A' ' 36' ' ' GLN . 18.3 t -87.95 105.74 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.412 1.07 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -153.09 175.31 31.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.003 HD12 ' HB2' ' A' ' 32' ' ' TYR . 1.4 pt? -106.9 128.1 54.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 0.815 . . . . 0.0 109.227 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.516 ' HB3' ' C8 ' ' A' ' 130' ' ' NCZ . 99.7 p -89.1 162.64 15.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.961 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.524 ' OD1' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -88.91 159.03 17.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.39 0.45 29.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.29 -89.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.632 1.207 . . . . 0.0 109.301 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -172.17 34.3 0.14 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.414 1.071 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.401 ' HA ' ' C15' ' A' ' 130' ' ' NCZ . 1.1 m-80 -147.65 158.45 44.01 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.578 0.811 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.532 ' O ' ' C2 ' ' A' ' 130' ' ' NCZ . . . -171.76 65.15 0.14 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.593 1.183 . . . . 0.0 111.06 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 1.24 7.93 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.84 ' HG2' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -85.95 144.23 27.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 110.212 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 148.87 130.4 1.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.623 1.202 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.7 p -93.83 127.46 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.588 0.816 . . . . 0.0 109.278 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.24 88.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.617 1.198 . . . . 0.0 109.171 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.795 HD11 HG11 ' A' ' 7' ' ' VAL . 1.7 tt -85.37 148.84 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.4 p 154.72 -62.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.941 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -153.92 121.38 5.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 . . . . . 0 C--N 1.323 -0.555 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.724 H181 ' O ' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.64 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -145.2 106.85 4.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.413 ' O ' HG23 ' A' ' 6' ' ' THR . 18.4 Cg_endo -74.97 90.13 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.451 1.764 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.486 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.4 p 43.88 -158.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.451 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.769 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -65.66 119.54 11.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.221 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.2 p -147.55 148.64 31.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.422 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.019 HG12 ' HD2' ' A' ' 9' ' ' PRO . 8.2 t -80.01 131.96 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.37 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.655 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -39.87 -63.39 0.69 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.181 . . . . 0.0 110.327 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.019 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.03 -158.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -142.18 -42.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 110.069 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 13' ' ' LEU . 75.0 m -62.8 78.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.875 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.533 ' C ' ' H ' ' A' ' 14' ' ' SER . . . -74.54 9.63 10.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.004 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 111' ' ' SER . 1.2 mt -77.02 33.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 0.731 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.533 ' H ' ' C ' ' A' ' 12' ' ' GLY . 41.3 t -125.04 75.54 1.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.478 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 8.4 p-10 -49.64 90.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 115.69 33.65 1.53 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.434 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.6 OUTLIER -91.0 117.92 29.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.429 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -88.52 118.58 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.937 HG11 ' CG ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -142.21 -178.25 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -109.6 132.54 54.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 6' ' ' THR . 55.4 t -107.61 103.64 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.39 1.056 . . . . 0.0 109.365 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.72 125.0 35.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -113.35 96.41 0.81 Allowed Glycine 0 CA--C 1.528 0.847 0 O-C-N 124.477 1.111 . . . . 0.0 110.947 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -96.66 118.85 34.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.352 0.678 . . . . 0.0 109.41 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.44 38.77 52.04 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.4 1.063 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.894 ' CD1' HD21 ' A' ' 97' ' ' LEU . 2.3 tt -99.06 -110.63 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 0.729 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.928 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 6.0 mp0 -44.25 -23.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.604 1.19 . . . . 0.0 110.341 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 26' ' ' LEU . . . 65.58 20.1 11.58 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.466 1.104 . . . . 0.0 109.224 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 119.17 -4.87 13.65 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.409 ' CA ' ' HB3' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -87.57 -161.92 0.75 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.572 0.807 . . . . 0.0 110.409 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.511 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -149.74 145.34 26.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 0.0 109.398 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.59 ' CD1' ' HA ' ' A' ' 99' ' ' ASP . 11.3 m-85 -151.18 -170.51 3.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.563 1.164 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.549 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.3 m-20 -101.95 127.49 48.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.611 1.194 . . . . 0.0 109.396 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.639 HG12 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -91.41 150.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.257 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.614 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 165.67 157.41 9.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.725 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.33 103.6 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 0.737 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.653 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 4.3 t -108.22 157.53 18.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.349 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 92' ' ' ALA . . . 176.99 160.82 0.41 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.651 1.219 . . . . 0.0 109.249 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.422 ' CG ' ' O ' ' A' ' 39' ' ' TRP . 18.6 p-90 -64.24 107.71 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 108.019 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.898 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -99.79 -48.62 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.629 1.206 . . . . 0.0 109.246 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.51 ' CG ' ' N ' ' A' ' 42' ' ' THR . 1.1 t70 -93.99 169.72 10.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.226 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 44' ' ' VAL . 6.2 m -32.72 96.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 41.81 25.85 0.24 Allowed Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.412 1.07 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.934 HG11 HD23 ' A' ' 77' ' ' LEU . 3.4 t -102.52 116.01 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.4 0.706 . . . . 0.0 109.202 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.535 HD11 ' SG ' ' A' ' 37' ' ' CYS . 8.0 tp -63.39 105.09 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.17 . . . . 0.0 109.242 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.898 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -117.0 138.68 51.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.481 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 19.0 m -102.6 155.1 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 108.387 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.537 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -81.03 168.25 26.37 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.594 ' HG2' ' CD1' ' A' ' 73' ' ' PHE . 18.6 Cg_endo -74.99 -11.54 21.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.2 14.46 27.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.635 1.209 . . . . 0.0 109.366 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.614 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -86.83 9.73 18.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.466 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 8.9 m-85 -107.55 90.78 3.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.639 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -150.93 87.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.613 1.195 . . . . 0.0 110.044 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 53' ' ' SER . 50.5 p -35.95 152.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.885 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.559 HG11 HG23 ' A' ' 34' ' ' VAL . 7.5 p -155.23 160.51 2.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.408 1.068 . . . . 0.0 109.238 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.511 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 2.7 m -150.81 135.31 17.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.31 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.973 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -105.43 127.9 53.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.601 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -49.26 160.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.36 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.79 -30.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.348 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.432 ' N ' ' C ' ' A' ' 58' ' ' ASP . 4.5 t-20 -89.0 35.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.384 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.05 41.49 3.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.581 1.176 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 1.3 m -105.55 93.87 4.9 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.406 0.709 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.973 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.86 89.34 2.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.182 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -98.73 82.71 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.644 1.215 . . . . 0.0 109.976 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.549 HG21 ' CG2' ' A' ' 55' ' ' VAL . 3.1 t -110.11 138.82 45.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.771 ' O ' HD22 ' A' ' 67' ' ' LEU . 42.4 p -98.43 138.12 36.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.053 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.771 HD22 ' O ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -149.46 176.48 10.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.382 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 17' ' ' THR . 93.5 m -105.38 137.65 42.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.605 1.191 . . . . 0.0 110.402 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.729 HG11 HD13 ' A' ' 110' ' ' ILE . 45.0 t -92.95 87.14 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -87.46 66.45 9.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.626 1.204 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.443 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 3.5 ttm180 -40.53 -31.8 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.599 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -102.79 127.76 49.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.974 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.594 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 174.27 166.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -82.45 107.27 14.98 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.67 169.41 47.95 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.596 1.185 . . . . 0.0 110.989 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.585 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -142.3 123.17 14.38 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.395 0.703 . . . . 0.0 110.97 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.934 HD23 HG11 ' A' ' 44' ' ' VAL . 2.1 mp -58.83 149.02 27.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.473 ' CE2' HG13 ' A' ' 44' ' ' VAL . 34.4 p90 -65.45 -32.57 74.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 111.07 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.472 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 23.9 t0 -46.28 -46.29 17.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.671 1.232 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 145.25 -15.06 1.88 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.481 ' O ' HD12 ' A' ' 77' ' ' LEU . 14.3 m -90.67 153.92 19.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -90.88 140.61 29.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.477 ' CD2' ' HB2' ' A' ' 41' ' ' ASP . 46.0 t-105 -106.27 -92.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.62 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 155.23 -109.67 0.41 Allowed Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.616 1.197 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.62 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 18.7 m 90.79 -53.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.429 0.723 . . . . 0.0 110.344 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.599 ' O ' ' HA ' ' A' ' 72' ' ' SER . 60.5 t 68.08 -105.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.466 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -64.08 93.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 13.3 t -71.2 60.29 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.677 1.235 . . . . 0.0 108.294 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' ASP . 14.9 t -97.61 -19.99 17.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.09 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.5 m -87.76 -53.84 4.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.343 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.43 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.41 155.68 18.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.554 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -90.09 119.83 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.15 121.38 32.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 108.335 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.458 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 23.3 mt-30 -102.13 121.77 42.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.725 HG22 ' HG2' ' A' ' 36' ' ' GLN . 20.6 t -89.51 114.14 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.582 ' C ' H183 ' A' ' 130' ' ' NCZ . . . -166.91 175.1 42.23 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.894 HD21 ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -107.56 136.19 47.74 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.395 0.703 . . . . 0.0 109.298 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 32' ' ' TYR . 76.7 p -93.37 150.23 20.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 110.046 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.59 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -87.15 157.86 19.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.54 16.16 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.51 -15.2 15.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.6 45.31 4.65 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.57 1.169 . . . . 0.0 111.082 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 19.6 m-20 -117.82 165.3 13.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 109.277 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -106.44 102.32 1.89 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.414 1.071 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.488 ' CG ' ' O ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.97 -175.99 2.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.49 112.52 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -102.52 153.43 18.4 Favored Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.525 1.141 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.656 ' O ' HG13 ' A' ' 108' ' ' VAL . 5.6 p -100.96 102.3 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.419 0.717 . . . . 0.0 109.338 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.51 85.91 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.492 1.12 . . . . 0.0 109.429 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.761 HD12 HG21 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -80.8 154.56 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.624 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER 156.3 -62.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.081 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.558 ' CD1' ' C ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -140.71 149.26 41.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 110.895 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--N 1.328 -0.339 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 179.917 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.653 ' C6 ' ' CB ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.697 ' N ' ' CD ' ' A' ' 3' ' ' PRO . . . -77.63 -41.14 2.22 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.348 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.697 ' CD ' ' N ' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -75.04 87.49 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.786 ' HB ' HD22 ' A' ' 26' ' ' LEU . 3.9 p 39.32 -150.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.456 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.913 ' HB1' ' CG1' ' A' ' 21' ' ' VAL . . . -70.79 129.54 39.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER -137.76 141.4 40.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.451 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.891 HG13 HG21 ' A' ' 19' ' ' VAL . 3.3 t -77.11 120.82 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.337 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.716 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -33.07 -67.53 0.19 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.35 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.809 ' CG ' HG11 ' A' ' 19' ' ' VAL . 18.0 Cg_endo -75.04 -158.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.02 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.521 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -139.19 -45.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.412 1.07 . . . . 0.0 109.942 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 111' ' ' SER . 84.0 p -77.15 81.45 3.66 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.485 1.115 . . . . 0.0 110.034 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -73.02 1.06 42.46 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.027 HD23 ' O ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -66.59 62.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.618 0.834 . . . . 0.0 109.401 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -144.35 117.62 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.936 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 14' ' ' SER . 4.6 m-20 -35.49 94.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 59.5 67.3 2.23 Favored Glycine 0 CA--C 1.528 0.869 0 O-C-N 124.567 1.167 . . . . 0.0 111.055 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 69' ' ' VAL . 2.2 m -70.01 109.83 4.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 0.728 . . . . 0.0 110.466 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.802 HG22 HG23 ' A' ' 68' ' ' THR . 1.6 t -84.84 112.6 22.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.587 1.179 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.891 HG21 HG13 ' A' ' 7' ' ' VAL . 30.1 m -138.94 -176.71 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.28 133.96 55.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.913 ' CG1' ' HB1' ' A' ' 5' ' ' ALA . 1.5 t -107.65 104.22 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 O-C-N 124.424 1.077 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -88.26 121.96 31.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.423 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -102.1 127.52 9.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.572 1.17 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -119.44 103.57 9.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 0.0 109.226 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.16 18.11 47.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.424 1.078 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.002 ' HG ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -76.56 -142.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.918 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 10.5 mm100 -54.48 87.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.599 1.187 . . . . 0.0 110.354 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -55.7 87.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 72.68 2.21 55.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.049 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.459 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.77 -176.27 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 110.418 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -139.45 122.48 16.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.637 ' CE1' ' NE2' ' A' ' 27' ' ' GLN . 2.6 m-30 -117.77 -171.08 1.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.468 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 6.0 p-10 -111.6 110.54 20.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.226 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.769 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -80.2 139.11 18.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.599 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 178.49 158.69 21.62 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.513 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.78 97.08 9.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 0.728 . . . . 0.0 110.412 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.757 ' SG ' HD11 ' A' ' 45' ' ' LEU . 4.5 t -106.81 155.47 19.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 108.394 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 173.54 161.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -60.58 119.03 7.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.096 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.973 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -99.62 -44.57 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.464 ' CB ' ' HB ' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -83.5 -152.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 42' ' ' THR . 8.2 t -77.92 54.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.97 -9.16 50.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.626 1.204 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 64.7 t -69.97 112.48 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.757 HD11 ' SG ' ' A' ' 37' ' ' CYS . 1.6 tm? -60.17 112.89 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.973 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -126.39 137.3 53.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.567 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 15.7 m -105.35 152.24 23.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 108.274 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.522 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -82.81 165.02 44.04 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.0 109.468 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.64 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.08 -9.43 20.66 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.499 1.789 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.49 14.83 26.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.599 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.48 8.77 23.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -105.97 93.56 4.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.943 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.55 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -146.84 84.16 1.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.934 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' SER . 84.1 p -36.28 141.94 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.11 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.635 HG11 HG23 ' A' ' 34' ' ' VAL . 9.3 p -147.91 159.74 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 124.65 1.219 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.748 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -147.4 137.1 22.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 1.042 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.45 141.14 38.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.57 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -62.33 158.96 16.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.06 -28.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.439 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.4 t-20 -88.23 35.08 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.96 38.64 2.56 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.464 1.102 . . . . 0.0 111.095 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.42 ' HB2' ' CG ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -99.32 97.35 8.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 0.745 . . . . 0.0 110.038 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 1.042 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.67 80.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.406 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.7 p -90.54 76.73 6.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.952 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.731 HG21 HG21 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -109.57 141.51 41.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.512 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.1 p -102.39 154.03 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.666 HD13 HG11 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -158.36 166.82 31.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.648 1.218 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.802 HG23 HG22 ' A' ' 18' ' ' VAL . 25.9 m -106.3 138.44 42.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 17' ' ' THR . 19.3 t -88.46 83.19 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.398 1.061 . . . . 0.0 109.378 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 72' ' ' SER . 29.2 mtt180 -88.96 66.75 7.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.455 ' NH2' ' HB3' ' A' ' 13' ' ' LEU . 16.3 ttm180 -35.94 -32.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 77.5 p -89.2 107.42 19.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.606 ' CZ ' ' HB2' ' A' ' 88' ' ' CYS . 0.2 OUTLIER -157.33 165.23 36.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.612 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 29.9 tt0 -96.46 87.53 4.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.73 160.96 1.36 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.583 1.177 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.612 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 61.0 m-85 -140.83 115.65 9.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 83' ' ' TRP . 14.1 mt -57.64 135.64 56.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.394 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -56.62 -30.15 62.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.18 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -50.95 -22.64 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.199 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.84 -16.15 12.32 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.496 1.123 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 42.1 m -88.83 133.39 34.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 0.825 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.574 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -77.77 138.81 39.21 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.503 1.127 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.675 ' CD1' HG13 ' A' ' 40' ' ' VAL . 54.5 t-105 -105.73 -87.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 108.013 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.604 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 140.66 -104.63 0.4 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.557 1.161 . . . . 0.0 111.03 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.604 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 7.6 m 89.93 -52.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 110.437 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 72' ' ' SER . 92.9 t 69.64 -104.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.529 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -58.76 90.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.386 1.054 . . . . 0.0 109.265 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.606 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 8.8 t -71.25 60.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' ASP . 12.6 t -99.49 -19.48 16.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.346 1.029 . . . . 0.0 110.405 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.7 m -88.99 -55.35 3.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.504 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.423 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.17 154.49 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.643 1.214 . . . . 0.0 109.246 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.73 123.0 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 124.2 35.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 108.312 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.51 ' H ' ' HB2' ' A' ' 38' ' ' ALA . 25.5 mt-30 -100.26 117.44 34.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.513 HG22 ' HG2' ' A' ' 36' ' ' GLN . 20.5 t -89.14 110.21 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.617 1.198 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -160.58 171.33 36.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.002 HD11 ' HG ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -106.4 133.53 50.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.354 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.97 158.73 15.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -79.59 160.48 26.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.77 11.57 12.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.78 -59.11 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.401 1.063 . . . . 0.0 109.25 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.43 48.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.574 1.171 . . . . 0.0 111.036 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -149.51 157.53 43.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 0.793 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.43 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -140.81 62.62 0.54 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.0 Cg_endo -75.06 -16.8 19.88 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.61 ' O ' H181 ' A' ' 130' ' ' NCZ . 0.7 OUTLIER -89.06 140.93 28.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.584 1.177 . . . . 0.0 110.245 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.4 ' C ' ' HB3' ' A' ' 94' ' ' GLN . . . 151.87 118.36 0.78 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 108' ' ' VAL . 0.8 OUTLIER -105.39 119.63 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.37 93.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.559 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -97.89 149.22 5.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 1.027 ' O ' HD23 ' A' ' 13' ' ' LEU . 1.1 t 154.48 -54.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -144.48 134.89 24.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.41 1.069 . . . . 0.0 109.359 179.931 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.61 H181 ' O ' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.71 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -173.26 102.6 0.31 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.493 ' O ' HG23 ' A' ' 6' ' ' THR . 18.4 Cg_endo -74.98 96.29 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.591 1.837 . . . . 0.0 111.075 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.782 ' HB ' HD22 ' A' ' 26' ' ' LEU . 2.5 p 42.36 -152.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.396 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.418 ' H ' ' CD2' ' A' ' 26' ' ' LEU . . . -73.16 115.49 12.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.363 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -139.38 147.86 42.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.362 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.746 HG13 ' HD2' ' A' ' 9' ' ' PRO . 2.0 t -83.34 129.23 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.414 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.751 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -37.22 -69.16 0.2 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.343 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.949 ' CG ' HG11 ' A' ' 19' ' ' VAL . 18.6 Cg_endo -74.94 -161.55 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.464 1.77 . . . . 0.0 111.095 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -136.43 -49.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 111' ' ' SER . 89.0 p -64.05 76.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.615 1.197 . . . . 0.0 109.925 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' SER . . . -64.09 -8.3 28.89 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.563 HD12 ' O ' ' A' ' 111' ' ' SER . 0.7 OUTLIER -70.14 56.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 0.707 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.519 ' HB3' ' CB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -132.32 115.67 15.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' SER . 20.5 p-10 -36.13 96.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.379 1.049 . . . . 0.0 109.199 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 47.09 68.6 1.1 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.59 1.181 . . . . 0.0 110.979 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.519 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -77.26 125.11 28.81 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.351 0.677 . . . . 0.0 110.354 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.525 HG22 HG23 ' A' ' 68' ' ' THR . 1.7 t -96.25 115.49 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.949 HG11 ' CG ' ' A' ' 9' ' ' PRO . 1.7 m -137.8 -172.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -110.64 135.57 51.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 6' ' ' THR . 83.6 t -112.47 101.95 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -88.17 125.19 34.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.517 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -112.24 81.12 0.28 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.371 1.044 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -85.7 124.78 32.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.374 0.69 . . . . 0.0 109.296 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 82.63 18.4 66.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.572 1.17 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.782 HD22 ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -88.24 -146.84 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 0.742 . . . . 0.0 109.336 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.971 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -68.25 84.47 0.25 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.405 1.066 . . . . 0.0 110.286 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.613 ' HB1' ' O ' ' A' ' 59' ' ' ALA . . . -67.44 98.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.01 -16.4 59.46 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.42 1.075 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.565 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -92.09 -178.84 5.1 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.573 0.807 . . . . 0.0 110.437 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.946 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -157.15 156.45 32.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.677 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -152.35 -165.22 2.15 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.566 1.166 . . . . 0.0 111.034 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -104.77 112.21 25.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.557 HG21 HG21 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -78.74 136.74 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.647 1.217 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.632 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 179.3 154.94 13.81 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.648 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.26 101.0 12.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 0.727 . . . . 0.0 110.389 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.646 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 4.7 t -107.03 155.12 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 177.13 163.65 0.5 Allowed 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.59 1.181 . . . . 0.0 109.233 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.514 ' CD1' ' O ' ' A' ' 39' ' ' TRP . 28.6 p90 -63.57 109.65 1.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 108.012 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.955 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -99.87 -34.25 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.229 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.568 ' OD1' ' CD2' ' A' ' 83' ' ' TRP . 1.7 t70 -89.47 -155.15 0.34 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.748 ' O ' HG23 ' A' ' 42' ' ' THR . 6.3 t -80.7 53.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.358 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.76 4.13 42.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.39 1.057 . . . . 0.0 111.092 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.462 HG23 ' HB3' ' A' ' 41' ' ' ASP . 5.8 t -89.35 116.62 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.405 0.709 . . . . 0.0 109.437 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.531 HD22 H173 ' A' ' 130' ' ' NCZ . 0.8 OUTLIER -63.6 100.02 0.25 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.499 1.124 . . . . 0.0 109.232 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.955 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -109.82 137.94 46.9 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.581 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 5.9 m -101.88 153.16 20.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 108.332 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.632 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -81.23 169.91 17.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.234 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.596 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.0 Cg_endo -74.92 -11.46 21.64 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.417 1.746 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.48 17.56 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.632 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -87.43 5.14 40.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.398 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.596 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -107.48 93.11 4.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.153 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.526 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -150.12 84.88 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' SER . 23.8 p -38.21 133.67 0.91 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.622 1.202 . . . . 0.0 109.937 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.744 HG13 HG21 ' A' ' 65' ' ' THR . 2.5 t -140.59 159.38 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.375 1.047 . . . . 0.0 109.284 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.946 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -145.13 148.22 33.37 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.43 1.081 . . . . 0.0 110.394 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.971 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -107.44 138.04 44.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -65.05 155.13 35.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.645 1.216 . . . . 0.0 109.333 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.613 ' O ' ' HB1' ' A' ' 28' ' ' ALA . . . -42.56 -27.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.395 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.448 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.3 t-20 -88.17 32.82 0.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.383 1.052 . . . . 0.0 109.203 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.36 43.74 3.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.591 1.182 . . . . 0.0 111.037 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 58.0 m -119.0 105.19 11.19 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.482 0.754 . . . . 0.0 109.983 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.608 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.43 85.58 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.2 m -93.72 75.09 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.042 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.744 HG21 HG13 ' A' ' 55' ' ' VAL . 68.5 p -110.45 136.71 49.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.352 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.609 ' O ' HD22 ' A' ' 67' ' ' LEU . 80.2 p -90.83 139.75 30.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.382 1.051 . . . . 0.0 110.026 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -142.67 166.97 23.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.159 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.525 HG23 HG22 ' A' ' 18' ' ' VAL . 87.3 m -106.22 132.55 52.15 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.554 1.159 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.494 ' CG2' HG22 ' A' ' 17' ' ' THR . 45.5 t -89.44 85.18 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.569 1.168 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.697 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 9.6 mtt180 -86.61 60.78 6.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 39.0 ttp180 -36.36 -32.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.642 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 96.7 p -102.17 125.37 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.194 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.697 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 178.9 177.54 0.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.341 1.025 . . . . 0.0 110.897 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.434 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -93.09 105.87 17.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.383 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.77 167.17 38.49 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.548 1.155 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.541 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -142.16 117.24 10.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 0.798 . . . . 0.0 111.004 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 41' ' ' ASP . 24.7 mt -58.72 131.0 49.58 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.5 -28.28 8.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -50.37 -53.17 31.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.5 -20.6 0.72 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.5 m -89.27 145.51 25.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.454 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 17.5 mtm-85 -83.3 140.52 32.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.235 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.568 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 77.1 t-105 -105.82 -91.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 107.91 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 155.13 -101.3 0.2 Allowed Glycine 0 CA--C 1.532 1.133 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.652 ' OG1' HG22 ' A' ' 40' ' ' VAL . 17.0 m 88.43 -52.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 0.816 . . . . 0.0 110.442 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.642 ' O ' ' HA ' ' A' ' 72' ' ' SER . 99.4 t 67.9 -107.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.624 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -62.49 102.57 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.234 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 42.3 t -82.56 53.31 2.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.544 1.153 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.9 t -96.03 -22.68 17.21 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.509 1.13 . . . . 0.0 110.384 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 m -89.28 -54.17 4.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.406 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -85.72 140.18 30.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -80.21 119.15 22.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.43 1.081 . . . . 0.0 109.191 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.89 124.55 35.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 108.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.51 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 75.8 mt-30 -98.69 113.59 25.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.648 HG22 ' HG2' ' A' ' 36' ' ' GLN . 6.4 t -87.8 106.44 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -155.08 179.8 30.83 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.455 1.097 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.832 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -106.1 143.96 33.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.767 . . . . 0.0 109.194 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' ' 32' ' ' TYR . 1.4 p -87.7 138.01 31.84 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.515 1.135 . . . . 0.0 109.957 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.98 159.67 30.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.216 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.99 6.73 27.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.603 1.189 . . . . 0.0 109.294 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.38 -32.1 15.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.392 1.057 . . . . 0.0 109.321 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 118.35 39.24 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.418 1.073 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -149.59 154.69 39.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.677 0.869 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.411 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -132.87 63.09 0.63 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.418 1.074 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.2 Cg_endo -75.09 -22.55 14.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.958 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.409 ' HB3' HD22 ' A' ' 97' ' ' LEU . 1.6 tm-20 -84.59 142.65 29.81 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.525 1.141 . . . . 0.0 110.256 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 145.62 136.42 2.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.609 1.193 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -105.5 122.15 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.368 0.687 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.67 94.28 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.492 1.12 . . . . 0.0 109.197 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.578 ' O ' ' CB ' ' A' ' 111' ' ' SER . 2.7 tp -91.01 156.39 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.578 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER 152.8 -61.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -137.29 142.16 41.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 52.9 t30 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.646 ' C6 ' ' CB ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.799 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -163.64 99.93 0.96 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.486 ' C ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo -75.08 90.48 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.648 1.867 . . . . 0.0 110.95 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.502 ' HB ' HD22 ' A' ' 26' ' ' LEU . 1.1 p 54.61 -159.63 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 110.353 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.733 ' H ' HD23 ' A' ' 26' ' ' LEU . . . -60.67 128.94 39.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 109.368 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.2 p -150.39 146.27 26.6 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.517 1.135 . . . . 0.0 110.476 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.675 ' H ' HG11 ' A' ' 108' ' ' VAL . 3.0 t -74.5 123.08 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.728 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -32.52 -68.82 0.14 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.355 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.837 ' CG ' HG11 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.05 -159.56 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.584 1.834 . . . . 0.0 111.038 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 111' ' ' SER . 27.7 m -136.93 -49.04 0.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 110.028 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.426 ' HA ' ' HB3' ' A' ' 111' ' ' SER . 43.5 p -70.77 57.74 0.2 Allowed 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.425 1.078 . . . . 0.0 109.991 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.67 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -57.22 -13.62 10.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.373 1.046 . . . . 0.0 111.013 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.797 HD23 ' O ' ' A' ' 111' ' ' SER . 0.5 OUTLIER -54.77 74.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.805 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.67 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -151.06 123.69 8.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.142 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 14' ' ' SER . 20.1 p-10 -36.45 93.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 52.69 67.25 2.18 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.486 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.5 OUTLIER -74.53 128.99 36.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 110.497 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.69 118.38 38.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.226 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.837 HG11 ' CG ' ' A' ' 9' ' ' PRO . 1.4 m -142.7 -176.62 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -118.33 127.87 54.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.597 1.185 . . . . 0.0 109.243 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.506 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.7 t -99.0 96.85 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.216 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.13 135.23 33.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.477 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -117.53 120.23 4.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -102.36 96.73 7.14 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.501 0.765 . . . . 0.0 109.357 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.25 21.05 12.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.733 HD23 ' H ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -82.49 -141.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 0.722 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.988 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 18.9 mm-40 -51.65 89.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.75 84.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 78.12 4.69 86.61 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.511 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.2 -175.11 4.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.534 0.785 . . . . 0.0 110.408 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.757 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -139.07 114.36 9.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.661 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.3 m-30 -117.75 165.37 13.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 33.0 m-20 -91.3 127.59 36.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.684 1.24 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.052 HG23 ' HB3' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -100.44 137.32 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.623 1.202 . . . . 0.0 109.316 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.566 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 172.99 125.26 0.82 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.388 1.055 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.674 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -56.0 99.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.506 0.768 . . . . 0.0 110.213 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 3.4 t -106.67 157.86 17.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.598 1.186 . . . . 0.0 108.345 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.584 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . 178.97 166.2 0.92 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 109.384 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.51 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 40.2 p90 -72.38 111.66 7.77 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.876 HG22 ' OG1' ' A' ' 85' ' ' THR . 0.7 OUTLIER -98.16 -46.74 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.603 ' OD2' ' CH2' ' A' ' 83' ' ' TRP . 2.4 t0 -85.14 -160.72 0.52 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -67.05 80.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.62 1.2 . . . . 0.0 110.365 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.78 21.35 71.13 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 78' ' ' PHE . 15.0 t -97.67 111.0 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.903 HD22 H173 ' A' ' 130' ' ' NCZ . 0.2 OUTLIER -63.06 96.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.524 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -107.89 139.9 41.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.384 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.598 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 57.0 m -97.43 155.41 16.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 108.413 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.529 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 1.3 m-80 -79.68 168.2 28.17 Favored Pre-proline 0 C--N 1.323 -0.564 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.652 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -74.99 -16.73 20.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.32 15.15 26.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.571 1.17 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.647 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.75 17.09 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.389 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.652 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -105.17 87.06 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.598 1.186 . . . . 0.0 110.912 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.437 ' HB3' HG12 ' A' ' 34' ' ' VAL . 1.1 t -148.02 84.36 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -57.61 146.9 28.86 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.523 1.139 . . . . 0.0 109.951 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.816 HG21 ' HB ' ' A' ' 65' ' ' THR . 7.4 p -159.39 151.91 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.757 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -121.02 149.69 42.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.493 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 1.039 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.06 145.57 31.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.266 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.577 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -69.62 159.21 33.83 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.415 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.9 -28.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.448 1.092 . . . . 0.0 109.239 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.436 ' N ' ' C ' ' A' ' 58' ' ' ASP . 21.5 t30 -88.7 34.58 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.385 1.053 . . . . 0.0 109.268 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.72 40.65 4.02 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.505 1.128 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.7 OUTLIER -101.94 96.5 7.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 0.773 . . . . 0.0 109.985 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 1.039 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -104.03 97.75 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.9 m -101.72 93.95 5.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.889 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.921 HG21 HG21 ' A' ' 34' ' ' VAL . 7.4 t -106.05 162.36 13.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.3 p -137.9 121.77 17.68 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.577 1.173 . . . . 0.0 109.955 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.82 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -151.23 176.44 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.631 1.207 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.82 ' H ' HD13 ' A' ' 67' ' ' LEU . 6.2 t -105.24 137.28 43.27 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.431 1.082 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.81 HG11 HG12 ' A' ' 110' ' ' ILE . 39.4 t -89.22 84.71 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.463 ' HG2' HG23 ' A' ' 68' ' ' THR . 14.1 mmt180 -90.14 71.47 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.421 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' A' ' 113' ' ' ASN . 19.3 ttp180 -43.4 -35.43 1.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 88.6 p -94.96 122.6 37.78 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.341 1.026 . . . . 0.0 109.985 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.56 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 169.88 167.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 110.942 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.523 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 7.6 tt0 -80.68 113.45 18.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.223 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.83 173.59 54.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CE1' ' OE1' ' A' ' 74' ' ' GLU . 7.4 m-85 -135.53 119.06 16.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.771 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.468 HD12 ' HB ' ' A' ' 81' ' ' THR . 59.4 mt -42.85 164.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.335 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' A' ' 79' ' ' ASP . 1.0 OUTLIER -75.61 -31.96 60.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.567 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 7.3 t0 -61.4 -56.57 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.49 -27.04 0.22 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 111.03 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.468 ' HB ' HD12 ' A' ' 77' ' ' LEU . 4.3 m -69.01 136.67 52.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 0.728 . . . . 0.0 110.459 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 27.2 ptt180 -75.57 137.14 40.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.639 ' CD1' HG13 ' A' ' 40' ' ' VAL . 76.9 t-105 -101.7 -88.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.558 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 141.12 -89.38 0.18 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.442 1.089 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.876 ' OG1' HG22 ' A' ' 40' ' ' VAL . 3.2 m 70.5 -56.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.429 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.545 ' HB ' ' O ' ' A' ' 85' ' ' THR . 24.4 t 80.86 -101.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.214 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.95 99.4 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 9.9 t -82.89 61.63 6.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.389 1.056 . . . . 0.0 108.321 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.478 ' HA ' ' CD1' ' A' ' 112' ' ' PHE . 1.2 m -102.04 -13.01 17.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.366 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 m -88.06 -57.66 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -90.34 130.34 36.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.586 1.179 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' A' ' 112' ' ' PHE . . . -65.87 117.61 8.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.584 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -91.04 123.21 34.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 37' ' ' CYS . 13.7 pt20 -106.07 126.6 52.39 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 110.409 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.849 ' O ' HG12 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -96.99 124.15 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.229 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.621 ' O ' H183 ' A' ' 130' ' ' NCZ . . . -173.13 178.48 45.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.052 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.24 121.59 44.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.363 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.7 p -103.69 164.86 11.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.041 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.605 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -62.28 162.18 10.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.5 -1.06 57.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.77 -24.63 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.426 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.28 41.93 1.7 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 9.3 m-80 -150.81 165.97 31.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 0.729 . . . . 0.0 109.22 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 106' ' ' GLU . . . 106.2 91.15 2.2 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.396 1.06 . . . . 0.0 111.083 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.577 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.1 Cg_endo -74.98 45.27 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.406 ' H ' ' C ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER -91.84 130.26 37.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.391 1.057 . . . . 0.0 110.332 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.435 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . 178.03 154.58 12.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.12 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.849 HG12 ' O ' ' A' ' 95' ' ' VAL . 13.9 p -106.26 119.06 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.73 93.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.81 HG12 HG11 ' A' ' 69' ' ' VAL . 10.7 tp -69.86 136.3 26.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.226 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.797 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -70.7 61.11 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.895 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 89' ' ' THR . 42.0 p90 -50.21 156.62 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.447 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 1.3 m-20 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.143 . . . . 0.0 109.27 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.903 H173 HD22 ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.659 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.915 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . 165.73 -56.74 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.915 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.6 Cg_endo -75.03 106.56 2.3 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.434 1.755 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.507 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.3 p 46.74 -174.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.864 ' H ' HD23 ' A' ' 26' ' ' LEU . . . -52.11 114.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.385 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.545 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -146.97 138.06 23.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.456 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.009 HG23 HG22 ' A' ' 21' ' ' VAL . 9.1 p -109.68 110.35 31.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.702 HG22 ' CB ' ' A' ' 11' ' ' SER . 0.5 OUTLIER 48.87 167.77 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.455 1.097 . . . . 0.0 110.47 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.508 ' HD2' ' OG1' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.01 -44.57 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.389 1.731 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 11' ' ' SER . 14.4 p -94.34 -75.16 0.52 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.117 . . . . 0.0 109.849 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.877 ' OG ' HG21 ' A' ' 69' ' ' VAL . 0.6 OUTLIER 57.59 152.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 110.006 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.477 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . 82.12 -40.4 2.68 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.445 1.091 . . . . 0.0 111.067 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 13' ' ' LEU . 10.4 mt -35.17 -36.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.454 0.738 . . . . 0.0 109.286 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -126.38 123.32 37.69 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.552 1.157 . . . . 0.0 109.993 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.84 71.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.233 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 138.34 35.86 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.435 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 5.9 m -85.53 110.68 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 110.488 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.9 t -75.47 121.42 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.672 HG11 ' CB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -146.53 -170.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -114.25 136.39 53.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 109.372 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.009 HG22 HG23 ' A' ' 7' ' ' VAL . 2.3 t -108.47 79.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.96 135.95 33.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.574 1.172 . . . . 0.0 109.303 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.507 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -134.41 97.7 0.3 Allowed Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.01 125.15 47.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.612 0.83 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.09 18.26 29.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 111.055 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.864 HD23 ' H ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -90.49 -142.23 0.16 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.403 0.708 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.709 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -73.03 82.27 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' A' ' 59' ' ' ALA . . . -65.91 117.36 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.49 -20.34 47.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.441 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.31 179.56 5.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.767 . . . . 0.0 110.338 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.516 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -145.31 153.36 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.854 ' OH ' ' HB2' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -150.03 -169.01 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.986 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -124.5 119.63 29.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.699 HG12 ' CB ' ' A' ' 53' ' ' SER . 1.0 OUTLIER -73.49 121.83 25.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.645 ' O ' H182 ' A' ' 130' ' ' NCZ . . . -163.75 119.13 0.85 Allowed Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.418 1.074 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.908 ' HG2' HG22 ' A' ' 95' ' ' VAL . 2.7 mt-30 -54.18 87.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 110.189 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.647 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -94.2 145.04 24.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.575 1.172 . . . . 0.0 108.184 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 166.73 165.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.533 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 15.4 m0 -64.47 89.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.616 1.198 . . . . 0.0 107.996 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.52 ' CG1' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -85.94 -39.68 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.577 ' HB2' HD21 ' A' ' 77' ' ' LEU . 7.6 t0 -88.68 -154.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 42' ' ' THR . 3.1 m -76.6 73.29 3.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.629 1.205 . . . . 0.0 110.437 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.2 21.3 76.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.434 1.084 . . . . 0.0 111.018 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.75 ' CG1' HD22 ' A' ' 77' ' ' LEU . 3.2 t -104.9 110.57 31.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.524 0.779 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.676 ' O ' HD23 ' A' ' 45' ' ' LEU . 5.0 tt -65.75 83.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.382 1.051 . . . . 0.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.582 ' HB2' HD23 ' A' ' 77' ' ' LEU . . . -93.22 144.8 24.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.237 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 65.5 m -96.34 156.03 16.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.437 1.086 . . . . 0.0 108.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.492 ' CB ' HE21 ' A' ' 36' ' ' GLN . 7.9 m-80 -93.06 112.4 55.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.442 ' HD2' ' O ' ' A' ' 74' ' ' GLU . 18.2 Cg_endo -75.02 7.54 2.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.538 1.81 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.793 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . . . -105.24 -8.17 18.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.647 ' HB2' ' NE2' ' A' ' 36' ' ' GLN . 11.8 t0 -110.4 -12.39 14.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.382 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -45.42 111.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.699 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -152.62 93.71 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 55' ' ' VAL . 5.2 p -56.56 129.19 39.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 54' ' ' SER . 2.1 t -155.47 162.74 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.233 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 1.1 t -120.35 167.12 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.854 ' HB2' ' OH ' ' A' ' 32' ' ' TYR . . . -106.13 126.53 52.33 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.362 1.038 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.671 ' O ' ' N ' ' A' ' 61' ' ' GLY . 2.5 m-20 -53.58 161.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.64 ' O ' ' HB1' ' A' ' 28' ' ' ALA . . . -37.67 -41.36 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -88.51 37.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.201 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.671 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.76 49.14 4.1 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.457 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 75.5 m -110.99 103.41 11.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.801 . . . . 0.0 109.891 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.457 ' HB2' ' OH ' ' A' ' 32' ' ' TYR . . . -107.2 102.08 11.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.369 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.0 p -100.3 84.58 2.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.582 HG23 ' HB ' ' A' ' 21' ' ' VAL . 8.0 t -109.52 115.82 30.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.573 1.171 . . . . 0.0 110.423 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.3 p -88.42 137.33 32.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.046 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.488 HD12 ' HB2' ' A' ' 53' ' ' SER . 0.7 OUTLIER -162.56 175.64 11.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.7 t -105.61 134.88 48.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.877 HG21 ' OG ' ' A' ' 11' ' ' SER . 21.7 t -89.07 86.49 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.421 1.075 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' SER . 17.3 mtt-85 -90.61 69.89 6.74 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.517 1.136 . . . . 0.0 110.23 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 1.3 ttm180 -38.72 -29.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 53.8 m -98.35 110.78 23.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.322 1.014 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.793 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -177.58 163.36 1.92 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.592 1.182 . . . . 0.0 111.023 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.532 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 5.0 tt0 -75.31 125.7 29.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.57 171.35 33.31 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -135.98 117.41 14.73 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.533 0.784 . . . . 0.0 111.064 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.75 HD22 ' CG1' ' A' ' 44' ' ' VAL . 36.0 mt -58.05 133.59 55.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -50.34 -30.33 11.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.17 -51.38 32.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.12 -18.17 1.19 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -89.32 145.22 25.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 110.414 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -83.77 138.24 33.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.558 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 24.7 t-105 -105.46 -89.36 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.123 . . . . 0.0 107.995 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.541 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 147.65 -97.53 0.18 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.462 1.102 . . . . 0.0 110.989 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.541 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 32.7 m 80.27 -53.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 0.804 . . . . 0.0 110.433 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.535 ' O ' ' HA ' ' A' ' 72' ' ' SER . 61.9 t 70.87 -104.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.445 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -59.26 94.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 25.1 t -85.31 50.23 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 108.217 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.7 t -90.57 -17.93 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 91' ' ' ALA . 9.1 t -87.95 -50.64 6.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.355 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.455 ' N ' HG23 ' A' ' 90' ' ' THR . . . -90.58 144.5 25.71 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.424 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -79.87 114.07 18.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.374 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.93 122.5 32.36 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.625 1.203 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 23.7 mt-30 -97.89 113.26 25.03 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.908 HG22 ' HG2' ' A' ' 36' ' ' GLN . 2.0 t -90.53 120.07 38.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.62 1.2 . . . . 0.0 109.377 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.507 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . -172.34 173.48 45.31 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.708 ' CB ' ' CD1' ' A' ' 32' ' ' TYR . 2.7 mp -104.86 125.73 51.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 0.723 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.53 ' HB3' ' C5 ' ' A' ' 130' ' ' NCZ . 9.1 p -105.2 155.43 19.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -58.96 162.12 4.45 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.83 2.16 35.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.634 1.209 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.87 -10.04 38.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.61 40.89 9.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -149.48 157.06 42.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.411 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.13 107.0 3.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 0.0 111.07 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 54.64 3.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.649 ' O ' H181 ' A' ' 130' ' ' NCZ . 1.0 OUTLIER -90.44 115.22 27.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 110.282 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.91 138.16 2.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.568 1.167 . . . . 0.0 111.054 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.867 HG13 HD13 ' A' ' 110' ' ' ILE . 6.5 p -105.6 128.85 59.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.228 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.01 92.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.867 HD13 HG13 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -86.34 170.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.4 OUTLIER 155.92 -62.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.95 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -153.26 147.96 26.28 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 111.056 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.0 t30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.252 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.649 H181 ' O ' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.703 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 1' ' ' ALA . . . 83.96 136.85 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.506 1.128 . . . . 0.0 109.268 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.611 ' C ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo -75.01 160.71 39.82 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.402 1.738 . . . . 0.0 111.068 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.611 HG23 ' C ' ' A' ' 3' ' ' PRO . 0.6 OUTLIER 58.61 172.1 0.06 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.803 ' HB1' ' CG1' ' A' ' 21' ' ' VAL . . . -50.24 121.19 5.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.664 HG22 HG23 ' A' ' 108' ' ' VAL . 1.1 p -144.44 147.89 33.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.892 HG22 HG21 ' A' ' 19' ' ' VAL . 3.3 t -75.76 106.77 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.618 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.89 -63.0 0.44 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.94 -160.19 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.608 1.846 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 11' ' ' SER . 40.6 m -90.6 -53.11 4.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.574 1.172 . . . . 0.0 109.852 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.611 ' HB2' HG11 ' A' ' 69' ' ' VAL . 4.8 p 50.95 174.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.601 1.188 . . . . 0.0 110.064 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.439 ' HA3' ' C ' ' A' ' 111' ' ' SER . . . 100.81 -53.32 0.89 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' A' ' 113' ' ' ASN . 1.6 mp -73.59 -8.95 58.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 0.793 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.51 ' CB ' ' OG1' ' A' ' 17' ' ' THR . 47.4 t -128.96 89.4 2.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.74 107.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.69 19.05 5.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.431 1.082 . . . . 0.0 111.056 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.51 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 29.1 m -90.12 118.69 29.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 0.799 . . . . 0.0 110.514 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -76.37 119.87 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.892 HG21 HG22 ' A' ' 7' ' ' VAL . 1.0 OUTLIER -127.13 174.46 10.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -113.53 114.65 26.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.803 ' CG1' ' HB1' ' A' ' 5' ' ' ALA . 19.6 t -88.28 90.66 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.91 127.04 44.73 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.506 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -131.77 106.14 0.65 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.03 108.7 19.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 83.06 37.88 12.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.156 . . . . 0.0 111.063 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.729 ' CD1' HD11 ' A' ' 97' ' ' LEU . 0.8 OUTLIER -75.37 -92.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.779 . . . . 0.0 109.371 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.592 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 17.7 mm100 -91.79 19.1 6.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.199 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 76.25 -11.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.37 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.721 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 126.32 2.04 7.09 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.612 HG22 ' H ' ' A' ' 31' ' ' ALA . 2.7 m -57.92 -155.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.529 0.782 . . . . 0.0 110.48 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.612 ' H ' HG22 ' A' ' 30' ' ' THR . . . -134.21 111.76 10.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.582 ' CD1' ' HG3' ' A' ' 27' ' ' GLN . 2.6 m-85 -123.28 168.31 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -91.13 115.84 28.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.24 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.804 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -79.4 141.73 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.411 1.069 . . . . 0.0 109.403 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.626 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 168.82 155.88 10.05 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.45 1.094 . . . . 0.0 110.954 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.739 ' HG2' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.29 98.28 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 0.801 . . . . 0.0 110.342 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.614 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 7.3 t -106.74 154.75 20.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 108.236 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.541 ' HB2' ' H ' ' A' ' 94' ' ' GLN . . . -178.24 168.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.603 1.189 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.558 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 68.9 p-90 -75.44 104.63 6.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 107.921 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.675 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -93.64 -49.41 12.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.429 1.081 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.507 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -86.22 -173.9 4.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.374 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.2 m -52.41 88.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.421 1.076 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 55.65 21.75 29.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.582 HG11 HD13 ' A' ' 77' ' ' LEU . 59.4 t -97.12 117.72 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.397 0.704 . . . . 0.0 109.3 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.572 HD22 H173 ' A' ' 130' ' ' NCZ . 12.3 mt -68.99 99.37 1.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.546 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -111.68 138.39 48.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.533 1.146 . . . . 0.0 109.374 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.622 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 3.7 m -105.38 152.22 23.23 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.609 1.193 . . . . 0.0 108.322 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.554 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -77.95 170.87 14.26 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.643 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.06 -11.73 21.38 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.552 1.817 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.36 16.66 23.71 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.626 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.7 t70 -89.18 6.84 38.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.453 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.643 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -107.71 93.67 4.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.999 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.674 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -150.5 78.69 1.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.065 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 97.5 p -44.58 139.33 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.88 HG21 ' HB ' ' A' ' 65' ' ' THR . 2.7 p -160.18 164.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.422 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.588 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -135.56 154.51 51.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.375 1.047 . . . . 0.0 110.381 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.786 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -100.16 144.93 28.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.613 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -58.11 160.92 4.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.333 1.02 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.49 -36.84 0.41 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -87.81 37.12 0.78 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.613 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.7 40.92 4.12 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.428 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 7.7 m -103.96 96.4 6.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.786 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -100.0 95.7 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -106.87 76.63 1.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.377 1.048 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.88 ' HB ' HG21 ' A' ' 55' ' ' VAL . 7.0 t -107.86 132.42 53.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.599 ' O ' HD22 ' A' ' 67' ' ' LEU . 83.7 p -93.71 133.69 36.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.599 HD22 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -143.09 164.27 30.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 t -89.41 125.49 35.17 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.456 1.097 . . . . 0.0 110.444 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.92 HG13 HD11 ' A' ' 110' ' ' ILE . 2.7 t -88.93 92.04 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.702 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 2.0 mtt180 -107.42 80.56 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.456 ' NH1' ' OD2' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -41.94 -40.94 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.334 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -81.48 142.92 32.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 0.0 110.036 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.702 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER 163.33 -179.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -94.3 103.72 15.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.57 153.0 52.78 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.488 1.117 . . . . 0.0 111.126 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -139.03 124.13 18.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 0.768 . . . . 0.0 110.963 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.749 HD21 ' HB2' ' A' ' 83' ' ' TRP . 7.9 mt -62.76 153.86 31.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.484 ' CE1' ' O6 ' ' A' ' 130' ' ' NCZ . 6.2 t80 -82.66 -25.67 32.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -59.89 -48.47 81.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.394 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.08 -27.54 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 1.1 m -80.18 164.56 23.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.638 0.846 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -116.94 147.88 41.87 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.351 1.032 . . . . 0.0 110.369 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.749 ' HB2' HD21 ' A' ' 77' ' ' LEU . 49.2 t-105 -104.55 -86.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.086 . . . . 0.0 108.105 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.496 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 127.38 -79.27 0.37 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.604 1.19 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.992 ' O ' HG22 ' A' ' 86' ' ' VAL . 3.3 m 68.54 -57.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.388 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.992 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 83.84 -23.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.746 ' H ' HG22 ' A' ' 85' ' ' THR . 0.4 OUTLIER -143.63 104.62 4.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.178 . . . . 0.0 109.315 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 4.1 t -90.64 64.99 5.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 108.392 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.446 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -105.39 -12.68 15.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.413 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.0 m -88.83 -60.02 2.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.434 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.558 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -91.03 104.33 16.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -39.72 126.14 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.621 1.2 . . . . 0.0 109.334 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -89.73 126.94 35.85 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.575 1.172 . . . . 0.0 108.359 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.541 ' H ' ' HB2' ' A' ' 38' ' ' ALA . 23.9 mt-30 -92.38 110.62 22.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.363 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.739 HG13 ' HG2' ' A' ' 36' ' ' GLN . 2.5 t -88.61 108.1 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.475 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -167.82 178.25 41.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.427 1.079 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.928 ' O ' HD12 ' A' ' 97' ' ' LEU . 1.6 pp -107.31 128.14 54.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 0.707 . . . . 0.0 109.17 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.566 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 26.0 t -93.22 168.87 10.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 0.0 109.933 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -85.26 158.13 20.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.404 1.065 . . . . 0.0 109.4 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.77 9.23 25.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.3 -49.69 3.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 123.04 50.23 0.22 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 105' ' ' PRO . 74.4 m-20 -111.08 146.62 36.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.584 0.814 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -31.89 93.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.597 ' HG2' ' C1 ' ' A' ' 130' ' ' NCZ . 18.3 Cg_endo -74.98 127.42 10.68 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 124.61 1.847 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.69 144.64 25.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.381 1.051 . . . . 0.0 110.247 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -143.77 169.88 25.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.618 1.199 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.664 HG23 HG22 ' A' ' 6' ' ' THR . 5.3 p -99.22 143.95 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.595 0.82 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.03 99.33 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.92 HD11 HG13 ' A' ' 69' ' ' VAL . 1.7 tt -66.68 136.09 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.569 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.48 57.51 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.386 1.054 . . . . 0.0 110.096 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -49.91 162.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.05 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.599 ' HA ' HD23 ' A' ' 13' ' ' LEU . 2.2 t-20 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.656 1.223 . . . . 0.0 109.359 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.622 ' C9 ' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.943 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . 176.41 -56.13 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.89 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.5 Cg_endo -74.95 67.07 5.95 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.47 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.3 p 55.35 -178.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.809 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -59.04 119.6 7.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.379 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.569 HG22 HG23 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -140.47 147.59 39.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.628 1.205 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.786 ' H ' HG21 ' A' ' 108' ' ' VAL . 5.1 t -74.77 108.21 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.581 1.176 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.621 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -38.93 -62.73 0.7 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.449 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.621 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.98 -156.65 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.602 1.843 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.4 m -92.4 -46.33 7.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 0.0 109.988 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.574 ' HB3' HG11 ' A' ' 7' ' ' VAL . 6.6 p 57.09 -179.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.011 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.41 ' C ' ' HA ' ' A' ' 112' ' ' PHE . . . 77.63 -48.7 2.96 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.441 ' HA ' ' CB ' ' A' ' 113' ' ' ASN . 0.8 OUTLIER -63.02 -18.68 63.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 109.386 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -124.26 98.83 5.94 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.552 1.157 . . . . 0.0 110.115 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -61.3 79.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.51 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 127.24 36.58 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.445 ' CG2' ' CG1' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -92.29 131.72 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 0.729 . . . . 0.0 110.448 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -82.8 117.97 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.552 HG21 HG13 ' A' ' 7' ' ' VAL . 1.2 m -132.79 174.4 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 0.0 109.244 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -116.75 125.55 51.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.586 1.179 . . . . 0.0 109.175 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.809 HG12 ' HB1' ' A' ' 5' ' ' ALA . 59.5 t -97.3 84.9 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.444 1.09 . . . . 0.0 109.157 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.31 127.01 41.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.457 ' HA3' ' N ' ' A' ' 5' ' ' ALA . . . -135.05 121.7 2.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.447 1.092 . . . . 0.0 111.069 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.943 ' HB3' ' HA ' ' A' ' 2' ' ' ALA . . . -106.08 121.2 43.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.266 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 101.93 0.82 51.92 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.394 1.059 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.708 HD22 ' H ' ' A' ' 5' ' ' ALA . 6.2 tp -76.2 -136.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.385 0.697 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.942 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 38.5 mm-40 -55.18 86.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.098 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.25 93.29 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' ALA . . . 67.8 7.02 47.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.435 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.9 -176.54 4.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 0.725 . . . . 0.0 110.434 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.715 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -139.25 119.47 13.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.662 1.226 . . . . 0.0 109.15 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.666 ' HB2' HD12 ' A' ' 97' ' ' LEU . 2.3 m-30 -118.55 175.99 5.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.554 1.159 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 75.7 m-20 -98.31 113.1 24.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.929 HG21 HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -82.02 137.56 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.637 ' O ' H182 ' A' ' 130' ' ' NCZ . . . 172.63 156.38 12.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.427 1.079 . . . . 0.0 110.969 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.746 ' HG2' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.8 102.14 14.27 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.491 0.759 . . . . 0.0 110.395 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.508 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 3.5 t -106.69 148.89 27.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 108.286 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -178.93 167.84 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.473 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 15.1 p-90 -68.87 111.29 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 108.028 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.987 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -95.61 -45.75 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.598 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 1.4 t0 -92.29 -155.36 0.42 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.716 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.6 t -77.55 98.86 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.0 21.51 31.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 42' ' ' THR . 45.3 t -105.97 115.62 48.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.541 0.789 . . . . 0.0 109.432 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.698 HD13 ' H14' ' A' ' 130' ' ' NCZ . 0.2 OUTLIER -69.95 104.12 2.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.987 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -112.52 135.69 52.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.589 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 59.0 m -96.73 155.58 16.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.648 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 2.3 m120 -80.31 160.43 67.89 Favored Pre-proline 0 C--N 1.323 -0.587 0 O-C-N 124.499 1.124 . . . . 0.0 109.377 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.611 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.93 -13.36 21.59 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.55 1.816 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.42 14.02 26.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.568 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -88.19 13.21 11.86 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 109.367 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.611 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 4.1 m-85 -105.51 88.74 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.72 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -148.95 83.67 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.393 1.058 . . . . 0.0 110.041 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.7 p -50.9 136.56 22.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.695 HG11 ' CB ' ' A' ' 65' ' ' THR . 25.4 m -142.13 168.55 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.394 1.059 . . . . 0.0 109.236 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.715 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -139.76 141.25 36.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 1.061 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -105.94 131.03 53.74 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -48.25 158.76 0.24 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.592 1.182 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.98 -29.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 58' ' ' ASP . 50.7 t30 -88.64 34.37 0.76 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.553 1.158 . . . . 0.0 109.227 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.96 42.5 6.52 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.56 1.162 . . . . 0.0 110.955 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -104.34 96.8 6.87 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 0.781 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 1.061 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.27 99.71 9.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 p -106.75 81.15 1.53 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.573 1.17 . . . . 0.0 110.101 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.929 HG21 HG21 ' A' ' 34' ' ' VAL . 3.9 t -107.49 121.04 43.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.464 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.514 ' O ' HD22 ' A' ' 67' ' ' LEU . 53.8 p -94.65 134.58 37.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.514 HD22 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -149.36 179.19 8.13 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.4 t -103.82 128.87 51.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.779 ' CG1' HD11 ' A' ' 110' ' ' ILE . 66.0 t -88.54 89.95 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.384 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.645 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 3.1 mtt85 -94.42 73.77 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 21.3 ttp180 -34.22 -37.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 1.4 p -90.27 124.13 34.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.191 . . . . 0.0 109.968 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.648 ' CE2' ' OD1' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -171.47 168.28 6.5 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.486 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 23.3 tt0 -93.15 94.74 8.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.172 . . . . 0.0 110.245 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.558 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -61.58 158.26 32.42 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 3.5 m-85 -133.73 121.98 22.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.391 0.7 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.792 HD21 ' HB2' ' A' ' 83' ' ' TRP . 12.9 mt -51.74 146.65 7.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -67.45 -30.41 70.13 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.487 1.117 . . . . 0.0 110.932 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -55.9 -55.79 28.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.54 -26.82 0.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.417 1.073 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.7 m -76.75 144.44 39.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.417 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.508 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 8.1 ptt180 -92.6 140.87 29.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.331 1.019 . . . . 0.0 110.301 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.792 ' HB2' HD21 ' A' ' 77' ' ' LEU . 43.5 t-105 -104.51 -90.53 0.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.517 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 145.89 -77.92 0.25 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.811 ' OG1' HG22 ' A' ' 40' ' ' VAL . 3.9 m 68.89 -55.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 0.703 . . . . 0.0 110.379 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 87' ' ' ASP . 90.1 t 73.03 -104.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.241 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.542 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.8 OUTLIER -56.78 92.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.335 1.022 . . . . 0.0 109.23 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.599 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 12.2 t -77.64 58.52 1.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 108.361 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.5 t -104.72 -19.82 13.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.357 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 91' ' ' ALA . 9.5 t -89.33 -55.21 3.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.53 ' N ' HG23 ' A' ' 90' ' ' THR . . . -91.27 119.14 31.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.47 120.44 9.95 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.702 ' O ' HG22 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -91.1 128.64 37.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 108.275 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.531 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 34.7 mt-30 -97.37 110.21 22.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.321 1.013 . . . . 0.0 110.297 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.811 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.1 t -88.92 106.17 16.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 O-C-N 124.58 1.175 . . . . 0.0 109.253 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.453 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . -162.35 174.16 38.72 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.574 1.171 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.837 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -105.92 116.71 32.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.507 0.769 . . . . 0.0 109.223 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.6 p -80.48 166.16 21.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 110.018 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -80.05 159.71 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.07 5.25 20.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.13 -86.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.242 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -177.77 40.81 0.09 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.478 1.111 . . . . 0.0 110.938 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.58 143.39 25.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.352 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -139.26 74.15 0.39 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.634 1.209 . . . . 0.0 110.818 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -26.96 10.41 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.771 . . . . 0.0 111.04 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -84.6 142.82 29.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.177 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.51 112.08 0.26 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 95' ' ' VAL . 4.3 p -70.5 155.56 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.207 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -87.2 104.67 16.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.779 HD11 ' CG1' ' A' ' 69' ' ' VAL . 3.7 tt -65.8 119.97 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.439 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -72.79 59.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.957 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.41 ' HA ' ' C ' ' A' ' 12' ' ' GLY . 12.8 p90 -47.96 150.01 1.24 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.445 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 2.1 t30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.389 1.056 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.698 ' H14' HD13 ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.595 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.86 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . 170.58 -54.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.366 1.041 . . . . 0.0 109.354 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.86 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -75.04 105.42 2.08 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.469 1.773 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.463 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.9 p 57.94 -149.24 0.46 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 110.488 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.839 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -80.6 114.93 19.84 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.42 1.075 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.1 p -140.08 150.24 44.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.628 1.205 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.886 ' HB ' HD13 ' A' ' 110' ' ' ILE . 2.4 t -83.87 132.7 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.401 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.849 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -30.48 -73.41 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.849 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.8 Cg_endo -74.81 -158.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.504 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -146.61 -68.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 110.133 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.441 ' HB2' ' N ' ' A' ' 113' ' ' ASN . 17.0 t -105.2 160.73 14.86 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.501 1.126 . . . . 0.0 110.043 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.77 19.08 57.13 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.63 HD22 HG21 ' A' ' 17' ' ' THR . 3.1 mt -88.75 145.55 25.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 0.725 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -134.76 164.69 26.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.481 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 13.8 p-10 -59.67 88.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.77 23.7 0.95 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.581 1.176 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.63 HG21 HD22 ' A' ' 13' ' ' LEU . 36.2 m -87.54 104.37 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.276 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 t -78.97 124.89 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.446 1.091 . . . . 0.0 109.366 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.764 HG21 HG13 ' A' ' 7' ' ' VAL . 23.5 m -151.82 169.88 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -102.63 135.46 44.22 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 6' ' ' THR . 30.3 t -109.33 103.99 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.61 126.72 35.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.42 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -114.58 82.8 0.32 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.424 1.077 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -84.85 132.88 34.35 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 66.18 14.57 61.83 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.572 1.17 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.026 HD11 HD21 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -83.07 -142.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.988 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 8.2 mm100 -47.32 90.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.62 89.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.225 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 70.21 8.15 61.43 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.624 1.202 . . . . 0.0 111.0 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.584 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.12 177.31 6.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 0.0 110.416 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.832 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -141.83 114.15 8.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.21 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.607 ' CZ ' ' NE2' ' A' ' 27' ' ' GLN . 7.2 m-30 -116.35 -169.58 1.64 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 111.037 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -107.5 111.05 23.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.64 HG23 HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -77.81 139.31 18.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.623 ' O ' H182 ' A' ' 130' ' ' NCZ . . . 170.67 159.57 16.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.403 1.064 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.566 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -94.9 102.35 14.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 110.265 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.557 ' SG ' HD21 ' A' ' 45' ' ' LEU . 1.4 t -106.05 148.63 27.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -179.99 167.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.443 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 41.4 p-90 -76.9 116.33 17.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 108.055 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.684 HG21 ' OG1' ' A' ' 85' ' ' THR . 0.3 OUTLIER -105.51 -43.92 7.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.605 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -83.25 -162.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.37 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 42' ' ' THR . 2.5 m -65.14 80.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.98 22.62 66.89 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.501 1.126 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 39' ' ' TRP . 36.7 t -100.07 114.67 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.779 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.614 HD22 ' C14' ' A' ' 130' ' ' NCZ . 9.3 tt -66.72 101.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -112.63 139.61 48.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.623 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 55.7 m -98.59 157.05 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 108.384 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.453 ' O ' ' HB3' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -83.07 165.51 40.71 Favored Pre-proline 0 C--N 1.323 -0.573 0 O-C-N 124.429 1.08 . . . . 0.0 109.204 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.67 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 17.9 Cg_endo -75.01 -20.71 16.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.39 13.36 35.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.415 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.571 ' OD1' ' C7 ' ' A' ' 130' ' ' NCZ . 0.0 OUTLIER -89.15 6.59 39.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.368 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.67 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.1 m-85 -106.61 84.91 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' SER . 1.3 t -144.48 87.55 1.88 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' SER . 60.3 p -35.23 148.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.931 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.64 HG11 HG23 ' A' ' 34' ' ' VAL . 7.3 p -152.93 156.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.388 1.055 . . . . 0.0 109.239 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.832 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -146.68 134.89 21.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 0.0 110.362 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.988 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -99.93 133.62 44.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -51.85 159.62 0.81 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.9 -28.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 109.248 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.425 ' N ' ' C ' ' A' ' 58' ' ' ASP . 49.0 t30 -88.58 32.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.85 46.23 7.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.427 ' N ' ' HB1' ' A' ' 57' ' ' ALA . 1.6 m -114.54 98.18 6.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 0.766 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.976 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -107.27 84.23 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.3 p -93.54 81.4 4.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.511 ' HB ' HG23 ' A' ' 55' ' ' VAL . 1.8 t -108.78 135.69 49.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.414 1.072 . . . . 0.0 110.454 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 54.1 p -98.16 137.5 36.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.592 1.183 . . . . 0.0 110.046 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.859 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -155.53 168.11 28.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.211 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.859 ' H ' HD13 ' A' ' 67' ' ' LEU . 89.7 m -99.76 140.5 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.36 1.038 . . . . 0.0 110.42 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.945 HG13 ' NH2' ' A' ' 71' ' ' ARG . 57.3 t -89.12 85.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 10.7 mmt180 -88.66 78.93 7.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.162 . . . . 0.0 110.351 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.945 ' NH2' HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -61.57 -23.49 66.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 38.0 t -103.41 125.99 50.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.962 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' HB3' ' CG ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 165.85 -176.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 8.6 tt0 -87.04 115.29 24.32 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.443 1.09 . . . . 0.0 110.355 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.68 166.5 30.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.586 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 2.6 m-85 -132.63 121.59 23.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 0.752 . . . . 0.0 111.049 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.682 HD23 HG23 ' A' ' 81' ' ' THR . 0.3 OUTLIER -43.99 166.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.601 1.188 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.503 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -71.46 -23.5 61.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.947 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.13 -58.79 4.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.412 1.07 . . . . 0.0 109.276 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.28 -25.87 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.682 HG23 HD23 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -69.32 144.21 53.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.472 0.748 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.586 ' HG2' ' CD2' ' A' ' 76' ' ' PHE . 18.0 mtt180 -78.19 129.47 35.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.334 1.021 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.605 ' CE3' ' OD2' ' A' ' 41' ' ' ASP . 60.8 t-105 -92.87 -87.76 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 170.03 -52.81 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.616 1.197 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.684 ' OG1' HG21 ' A' ' 40' ' ' VAL . 17.4 m 66.38 -60.95 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 0.728 . . . . 0.0 110.376 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 72' ' ' SER . 76.2 t 66.21 -86.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -118.56 100.75 7.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 29.4 t -85.0 48.94 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.644 1.215 . . . . 0.0 108.267 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 t -90.42 -23.54 21.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.611 1.194 . . . . 0.0 110.389 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 m -88.11 -39.23 14.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.419 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -91.07 126.92 36.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.075 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.993 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -69.34 103.5 2.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.397 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.459 ' HB2' ' NH1' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -79.55 122.88 27.04 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.522 1.139 . . . . 0.0 108.138 -179.844 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.566 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 21.3 mt-30 -89.92 114.52 26.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.55 HG22 HH22 ' A' ' 71' ' ' ARG . 4.6 t -86.78 108.08 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.151 . . . . 0.0 109.221 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.518 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . -164.42 178.81 39.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.504 1.127 . . . . 0.0 111.032 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.026 HD21 HD11 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -106.04 144.46 32.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 0.794 . . . . 0.0 109.219 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.489 ' HB3' ' C5 ' ' A' ' 130' ' ' NCZ . 27.1 p -105.5 144.33 32.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.071 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -66.19 161.27 22.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.26 14.79 10.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.16 -37.85 8.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.641 1.213 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.03 50.68 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.414 1.071 . . . . 0.0 111.045 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 81.6 m-20 -148.65 154.0 39.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 0.798 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.53 ' HA3' ' C2 ' ' A' ' 130' ' ' NCZ . . . -139.02 69.36 0.48 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.566 1.166 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -37.31 2.06 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.48 1.779 . . . . 0.0 111.063 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.67 141.6 34.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.177 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 149.51 119.57 0.99 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.9 p -104.5 123.29 58.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 0.766 . . . . 0.0 109.395 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.993 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -66.44 87.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.886 HD13 ' HB ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -100.95 159.6 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.532 1.145 . . . . 0.0 109.157 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.0 t 150.4 -53.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.046 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -161.34 174.71 13.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.441 ' N ' ' HB2' ' A' ' 11' ' ' SER . 18.1 t-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.421 1.076 . . . . 0.0 109.265 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.623 H182 ' O ' ' A' ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.498 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -177.2 60.01 0.16 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.899 ' HD2' HG21 ' A' ' 6' ' ' THR . 18.4 Cg_endo -74.92 91.79 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.525 1.802 . . . . 0.0 111.064 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.48 ' HG1' ' C ' ' A' ' 3' ' ' PRO . 30.0 p 46.53 -120.59 1.04 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.13 . . . . 0.0 110.364 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.505 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -87.04 118.6 26.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.899 HG21 ' HD2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -131.7 144.84 51.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.366 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.014 HG13 ' HB ' ' A' ' 19' ' ' VAL . 3.9 t -95.21 123.33 47.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.362 1.039 . . . . 0.0 109.253 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.749 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -59.87 -69.66 0.52 Allowed Pre-proline 0 N--CA 1.451 -0.39 0 O-C-N 124.517 1.136 . . . . 0.0 110.488 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.921 ' HG2' HG12 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -74.98 56.65 4.31 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.455 1.766 . . . . 0.0 111.032 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.445 ' C ' HD23 ' A' ' 13' ' ' LEU . 3.2 t -89.31 4.19 49.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' GLY . 5.0 t -100.56 135.74 41.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.915 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 33.38 50.02 0.51 Allowed Glycine 0 CA--C 1.527 0.843 0 O-C-N 124.648 1.218 . . . . 0.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.664 HD21 ' N ' ' A' ' 111' ' ' SER . 1.3 pp -75.21 -178.24 3.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.357 0.681 . . . . 0.0 109.2 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -134.77 150.6 50.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.38 86.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.475 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 120.17 31.86 1.24 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.117 . . . . 0.0 110.923 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.642 HG22 HG13 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -95.04 132.82 39.5 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.522 0.778 . . . . 0.0 110.417 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.82 108.31 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.586 1.179 . . . . 0.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.014 ' HB ' HG13 ' A' ' 7' ' ' VAL . 33.6 m -114.13 157.0 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.181 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -103.59 114.19 28.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.505 HG12 ' HB1' ' A' ' 5' ' ' ALA . 13.1 t -92.41 98.31 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.48 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.05 112.38 23.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -90.92 94.71 2.0 Allowed Glycine 0 CA--C 1.532 1.133 0 O-C-N 124.406 1.066 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.434 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . . . -97.43 90.5 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 0.812 . . . . 0.0 109.232 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.529 ' O ' ' O ' ' A' ' 26' ' ' LEU . . . 96.71 38.32 4.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.143 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.065 ' CD1' HD21 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -56.98 -141.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.431 0.724 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.56 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 5.5 tp60 -84.91 41.05 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 75.47 -9.69 1.37 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.399 1.062 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.698 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 127.13 2.49 6.5 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.507 1.13 . . . . 0.0 111.102 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.604 HG22 ' H ' ' A' ' 31' ' ' ALA . 3.0 m -58.51 -152.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 110.371 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.604 ' H ' HG22 ' A' ' 30' ' ' THR . . . -133.37 131.85 40.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CD2' ' C ' ' A' ' 98' ' ' SER . 3.1 m-85 -129.21 -166.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 4.3 t70 -128.39 119.9 25.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.935 HG12 ' OD1' ' A' ' 51' ' ' ASP . 97.8 t -77.37 122.46 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' H182 ' A' ' 130' ' ' NCZ . . . -162.51 115.71 0.67 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.481 1.113 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.585 HE21 ' CB ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -73.57 100.78 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.242 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.604 ' HB2' ' C6 ' ' A' ' 130' ' ' NCZ . 0.1 OUTLIER -99.22 152.0 20.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 108.279 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.644 ' HB2' ' H ' ' A' ' 94' ' ' GLN . . . 172.59 163.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.439 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 38.6 p-90 -62.74 82.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.712 ' CG1' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -75.61 -40.38 40.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.088 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.609 ' CG ' ' CE3' ' A' ' 83' ' ' TRP . 6.8 t0 -90.64 -152.72 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.264 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.661 HG22 ' O ' ' A' ' 42' ' ' THR . 1.3 m -77.7 70.0 4.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.596 1.185 . . . . 0.0 110.455 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.23 22.03 61.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.496 HG11 ' HB3' ' A' ' 77' ' ' LEU . 22.4 t -105.4 109.36 27.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -63.59 80.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.712 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -92.68 146.14 23.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.574 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 25.1 m -98.63 154.17 18.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.599 1.187 . . . . 0.0 108.28 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.585 ' CB ' HE21 ' A' ' 36' ' ' GLN . 2.7 m-80 -99.21 124.5 44.83 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.56 ' CD ' ' O ' ' A' ' 74' ' ' GLU . 18.3 Cg_endo -74.97 6.73 3.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.462 1.769 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 1.051 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . . . -99.71 -1.56 37.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.935 ' OD1' HG12 ' A' ' 34' ' ' VAL . 8.5 t70 -114.69 -16.85 11.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.248 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 49' ' ' PRO . 3.3 m-85 -52.45 101.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 111.051 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.69 102.63 2.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 30.4 p -49.57 148.4 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.411 ' CG1' HG23 ' A' ' 34' ' ' VAL . 5.6 p -155.6 166.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 30' ' ' THR . 0.9 OUTLIER -144.27 155.3 43.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.432 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.802 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -105.48 146.51 29.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.407 1.067 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -61.74 161.12 10.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.205 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -39.02 -36.38 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -88.46 36.72 0.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.14 42.67 5.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 2.6 m -106.21 96.42 6.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.865 ' HB3' HD13 ' A' ' 26' ' ' LEU . . . -102.3 74.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 p -92.07 75.07 5.5 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.404 ' CB ' HG21 ' A' ' 55' ' ' VAL . 83.9 m -109.85 143.46 39.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.482 ' O ' HD22 ' A' ' 67' ' ' LEU . 20.4 p -109.86 134.39 52.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.076 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -141.72 -179.42 6.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.2 t -105.48 122.62 46.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.684 ' O ' HG13 ' A' ' 69' ' ' VAL . 8.2 p -88.26 92.66 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 109.229 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.475 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 13.4 mmt180 -88.57 71.0 8.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.409 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 7.4 ttp180 -41.23 -32.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 56.8 m -93.94 123.72 37.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.096 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 1.051 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 0.6 OUTLIER 174.49 179.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' ' 49' ' ' PRO . 2.5 tp10 -85.55 111.45 20.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.25 153.09 33.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.15 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -128.6 126.49 40.36 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 0.796 . . . . 0.0 111.013 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.963 HD21 ' HB2' ' A' ' 83' ' ' TRP . 3.9 mt -64.69 140.77 58.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.202 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 78' ' ' PHE . 3.9 p90 -70.17 -27.3 64.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.161 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -54.53 -50.97 66.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.33 -27.2 0.25 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.387 1.055 . . . . 0.0 111.032 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.3 m -85.46 164.35 17.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.407 0.71 . . . . 0.0 110.369 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 35.5 ptt180 -114.31 145.59 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.963 ' HB2' HD21 ' A' ' 77' ' ' LEU . 59.8 t-105 -104.79 -90.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 108.04 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 143.59 -68.21 0.43 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.741 ' C ' HG23 ' A' ' 86' ' ' VAL . 1.6 m 67.72 -59.63 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.749 . . . . 0.0 110.353 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.741 HG23 ' C ' ' A' ' 85' ' ' THR . 2.6 t 84.7 -46.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -130.3 106.14 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 48.5 t -90.81 42.37 1.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.567 1.167 . . . . 0.0 108.32 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 66.6 m -87.4 -17.62 31.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.5 m -87.97 -52.07 5.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.065 . . . . 0.0 110.477 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.416 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -89.15 129.57 35.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.396 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.417 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -61.88 114.86 3.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.586 1.179 . . . . 0.0 109.228 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.506 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -89.57 126.73 35.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.283 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.644 ' H ' ' HB2' ' A' ' 38' ' ' ALA . 39.0 mt-30 -96.84 110.79 23.21 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.535 HG23 ' HB ' ' A' ' 110' ' ' ILE . 39.8 t -89.36 121.69 39.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.69 169.76 40.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.065 HD21 ' CD1' ' A' ' 26' ' ' LEU . 2.0 pp -106.65 125.32 50.85 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 0.792 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.537 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 87.7 p -100.02 166.35 11.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -79.11 160.73 26.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.643 1.214 . . . . 0.0 109.222 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.49 13.31 12.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.7 -61.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 154.08 49.85 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.566 1.166 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -139.68 148.73 42.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -118.64 110.34 1.91 Allowed Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.503 1.127 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.358 1.031 0 O-C-N 124.619 1.852 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.12 139.91 35.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.445 1.09 . . . . 0.0 110.331 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -115.59 167.74 12.47 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.461 1.1 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.695 HG13 HD12 ' A' ' 110' ' ' ILE . 1.8 p -104.16 121.98 56.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 109.276 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.7 93.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.646 1.216 . . . . 0.0 109.419 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.762 HD11 ' CB ' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -81.33 137.73 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.372 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.664 ' N ' HD21 ' A' ' 13' ' ' LEU . 3.2 p 149.43 -78.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.483 1.115 . . . . 0.0 110.069 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 92.8 t80 -154.22 122.1 5.94 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.685 1.24 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.604 ' C6 ' ' HB2' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.572 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 1' ' ' ALA . . . 171.42 76.77 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 119.47 5.65 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.424 1.749 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 2.9 p 47.0 -142.54 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.639 1.212 . . . . 0.0 110.434 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.647 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . . . -84.34 124.51 31.35 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.611 1.194 . . . . 0.0 109.316 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -144.54 145.19 31.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.958 HG13 ' HB ' ' A' ' 19' ' ' VAL . 2.3 t -88.37 120.33 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.769 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -54.22 -70.42 0.29 Allowed Pre-proline 0 N--CA 1.451 -0.376 0 O-C-N 124.414 1.072 . . . . 0.0 110.463 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.904 ' HG2' HG12 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.05 56.12 4.18 Favored 'Trans proline' 0 C--N 1.362 1.251 0 O-C-N 124.402 1.738 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 111' ' ' SER . 83.5 p -89.17 23.11 2.56 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.389 1.056 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -112.29 128.34 56.24 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.643 1.214 . . . . 0.0 110.099 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' SER . . . 36.45 50.59 1.34 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.031 HD13 HG23 ' A' ' 110' ' ' ILE . 4.7 mp -53.53 -175.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 0.717 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.7 t -143.0 152.38 41.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.95 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -52.84 87.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.628 ' HA2' HG22 ' A' ' 68' ' ' THR . . . 101.41 46.63 1.65 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.482 HG22 HG13 ' A' ' 19' ' ' VAL . 1.1 m -92.12 127.06 37.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.453 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.431 ' H ' HG23 ' A' ' 18' ' ' VAL . 1.5 t -74.33 111.63 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.958 ' HB ' HG13 ' A' ' 7' ' ' VAL . 31.5 m -120.07 162.15 18.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -113.82 115.17 27.34 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.419 1.074 . . . . 0.0 109.209 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.59 HG12 ' HB1' ' A' ' 5' ' ' ALA . 5.4 t -90.77 93.87 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.376 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -88.17 121.03 30.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -104.5 122.04 7.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.578 1.174 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -119.45 100.94 7.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.63 24.97 26.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.791 ' CD1' HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -90.27 -146.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.983 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 17.5 mm-40 -45.23 91.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -61.68 85.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.597 1.186 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 77.9 6.21 87.12 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.582 1.177 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.548 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.74 -176.95 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.667 0.863 . . . . 0.0 110.44 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.86 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -142.68 122.67 13.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CE1' ' OE1' ' A' ' 27' ' ' GLN . 3.8 m-30 -118.13 -178.14 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.049 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.512 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 23.9 t0 -98.14 112.9 24.7 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.913 HG23 HD12 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -85.66 141.81 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.615 1.197 . . . . 0.0 109.287 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.675 ' O ' H182 ' A' ' 130' ' ' NCZ . . . 162.86 156.16 8.41 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.471 1.107 . . . . 0.0 111.053 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.891 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -92.5 100.46 13.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 0.0 110.352 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.485 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 1.8 t -105.58 153.47 21.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.594 1.184 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 176.62 166.17 0.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.369 1.043 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.743 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 34.0 p-90 -76.66 108.84 9.95 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.682 HG21 HG23 ' A' ' 85' ' ' THR . 0.4 OUTLIER -97.99 -45.28 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.611 ' OD2' ' CZ2' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -86.41 -162.78 0.8 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.7 m -61.32 79.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.396 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 61.91 24.76 65.1 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.61 1.194 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.85 HG11 HD22 ' A' ' 77' ' ' LEU . 84.6 t -97.56 108.15 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.424 0.72 . . . . 0.0 109.246 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.613 HD22 H173 ' A' ' 130' ' ' NCZ . 0.1 OUTLIER -65.5 90.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.533 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -103.75 146.64 28.32 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.56 1.163 . . . . 0.0 109.224 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.648 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 8.4 m -105.73 153.58 21.66 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.456 1.097 . . . . 0.0 108.416 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.587 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -76.61 167.91 32.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.608 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -74.98 -16.71 20.1 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.542 1.811 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.481 ' CB ' ' HD2' ' A' ' 70' ' ' ARG . . . -105.01 12.64 32.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.595 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -90.46 10.92 23.3 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.627 1.205 . . . . 0.0 109.262 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -107.65 84.18 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.94 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.641 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -150.16 86.9 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.8 p -56.38 134.23 53.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.048 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.683 HG11 ' OG1' ' A' ' 65' ' ' THR . 35.8 m -129.26 168.54 22.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.86 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -139.3 138.02 36.34 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.456 1.098 . . . . 0.0 110.439 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.999 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -101.34 133.55 45.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.583 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -53.88 158.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.18 -29.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.244 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.438 ' N ' ' C ' ' A' ' 58' ' ' ASP . 14.9 t-20 -88.82 34.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.91 40.91 5.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -99.2 93.47 5.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.413 0.714 . . . . 0.0 110.027 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.999 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -100.01 84.66 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 p -97.28 79.31 2.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.872 HG21 HG21 ' A' ' 34' ' ' VAL . 6.3 t -109.05 131.42 55.09 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.4 p -109.47 136.59 48.64 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.394 1.059 . . . . 0.0 110.04 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.466 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -150.38 175.15 12.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.228 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.628 HG22 ' HA2' ' A' ' 16' ' ' GLY . 5.3 m -102.48 135.95 43.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.443 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.554 HG11 HG21 ' A' ' 110' ' ' ILE . 43.0 t -89.29 87.9 2.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.664 1.227 . . . . 0.0 109.385 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.583 ' HG3' HG22 ' A' ' 68' ' ' THR . 13.5 mtt-85 -93.79 101.83 13.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 71' ' ' ARG . 4.2 ttm-85 -78.49 -26.83 46.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.613 1.196 . . . . 0.0 110.277 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -99.44 113.78 26.33 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.454 1.096 . . . . 0.0 109.993 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 172.1 -175.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' ' 49' ' ' PRO . 1.2 tt0 -91.15 123.48 34.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 110.227 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.407 ' HA3' ' OG1' ' A' ' 85' ' ' THR . . . -103.94 164.37 15.19 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.501 1.126 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 46.2 m-85 -121.28 135.76 55.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.582 0.813 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.85 HD22 HG11 ' A' ' 44' ' ' VAL . 36.5 mt -47.6 174.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.614 ' HD1' HG13 ' A' ' 44' ' ' VAL . 7.4 p90 -80.31 -25.21 39.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.53 -55.81 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.22 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 165.64 -28.95 0.2 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.364 1.04 . . . . 0.0 111.048 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.708 ' HB ' HD12 ' A' ' 77' ' ' LEU . 19.1 m -66.31 133.47 50.62 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.426 0.721 . . . . 0.0 110.271 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -68.05 135.61 52.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.611 ' CZ2' ' OD2' ' A' ' 41' ' ' ASP . 35.6 t-105 -102.57 -91.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 177.15 -47.77 0.1 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.403 1.064 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.682 HG23 HG21 ' A' ' 40' ' ' VAL . 1.9 m 65.38 -66.2 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 0.805 . . . . 0.0 110.406 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.594 HG12 ' N ' ' A' ' 87' ' ' ASP . 77.7 t 64.48 -102.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.594 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.9 OUTLIER -96.41 105.03 17.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 39.3 t -89.75 39.64 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 108.385 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.9 t -88.83 -21.45 23.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.387 1.054 . . . . 0.0 110.425 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.9 m -88.43 -47.95 7.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.613 1.196 . . . . 0.0 110.416 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.743 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -90.02 106.65 18.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.405 ' HA ' ' CE2' ' A' ' 112' ' ' PHE . . . -49.25 116.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.47 126.57 33.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 108.363 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.557 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 33.6 mt-30 -98.98 110.54 23.14 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.055 ' O ' HG12 ' A' ' 108' ' ' VAL . 36.8 t -87.42 114.85 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.332 1.02 . . . . 0.0 109.31 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.502 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . -167.23 174.33 42.44 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.913 HD12 HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -108.51 113.05 25.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.217 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.4 p -83.57 155.84 23.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.964 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -42.79 163.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.149 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.25 -21.49 65.22 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.392 1.057 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.16 -8.79 52.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.227 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.84 28.49 50.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.665 1.228 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.477 ' CB ' ' H16' ' A' ' 130' ' ' NCZ . 12.6 p30 -146.25 156.04 43.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.799 . . . . 0.0 109.229 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.77 148.75 4.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.57 1.169 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.1 -12.6 21.33 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.479 1.778 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.458 ' O ' H181 ' A' ' 130' ' ' NCZ . 0.3 OUTLIER -46.63 109.8 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.329 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.54 137.26 3.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.583 1.177 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 1.055 HG12 ' O ' ' A' ' 95' ' ' VAL . 12.0 p -103.94 127.23 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.9 93.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 1.031 HG23 HD13 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -70.1 126.19 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.394 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 10' ' ' SER . 12.1 m -66.38 62.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.112 . . . . 0.0 109.93 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 110' ' ' ILE . 8.1 p90 -37.59 158.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.9 p30 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.675 H182 ' O ' ' A' ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 1.019 ' HB1' ' CB ' ' A' ' 24' ' ' ALA . . . 179.41 65.88 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.742 ' HG2' HG21 ' A' ' 6' ' ' THR . 17.8 Cg_endo -75.22 77.88 3.09 Favored 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.412 1.743 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.491 ' HB ' HD22 ' A' ' 26' ' ' LEU . 4.4 p 51.58 -139.83 0.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.577 1.173 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.669 ' HB2' HD21 ' A' ' 97' ' ' LEU . . . -75.22 115.75 15.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.742 HG21 ' HG2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -142.24 142.86 32.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.37 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.953 HG12 ' CG2' ' A' ' 19' ' ' VAL . 1.2 t -79.18 143.31 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.484 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.53 -56.02 1.38 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.426 1.079 . . . . 0.0 110.397 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.881 ' CD ' HG21 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.88 -171.88 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.382 1.728 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.9 p -151.56 -60.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.537 ' CB ' ' HA ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -127.65 159.31 35.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.42 28.36 67.91 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.424 1.078 . . . . 0.0 110.955 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.867 HD22 HG11 ' A' ' 69' ' ' VAL . 0.8 OUTLIER -78.41 174.98 10.71 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.411 0.712 . . . . 0.0 109.375 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.863 ' N ' HD12 ' A' ' 13' ' ' LEU . 3.7 t -128.31 153.24 47.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.404 1.065 . . . . 0.0 109.999 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.5 56.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 163.17 31.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.414 ' O ' ' HB ' ' A' ' 69' ' ' VAL . 8.6 m -91.74 102.89 15.51 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.469 0.746 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.511 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.6 p -93.48 128.15 45.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.404 1.065 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.953 ' CG2' HG12 ' A' ' 7' ' ' VAL . 33.2 m -152.35 -161.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.575 1.172 . . . . 0.0 109.369 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 5.8 pttm -113.96 140.74 48.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.689 HG13 ' C ' ' A' ' 6' ' ' THR . 2.5 t -111.64 107.22 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.231 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.24 129.26 35.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.596 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -108.31 100.01 1.4 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 1.019 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . . . -94.0 104.74 16.77 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.552 0.795 . . . . 0.0 109.36 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.7 32.62 14.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.604 1.19 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.609 HD12 ' H ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -80.68 -141.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.736 . . . . 0.0 109.227 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.981 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 10.3 mm100 -76.9 73.06 3.51 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.602 1.189 . . . . 0.0 110.407 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . -58.83 87.14 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 115.71 -30.59 6.55 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.487 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -92.68 -171.04 2.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 110.405 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.856 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -150.49 140.99 22.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.401 1.063 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.89 ' HB2' HD12 ' A' ' 97' ' ' LEU . 9.4 m-30 -123.68 -169.82 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 111.013 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.517 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 5.7 t0 -123.52 118.9 28.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 51' ' ' ASP . 2.5 t -71.37 129.8 35.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.621 1.201 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.529 ' CA ' ' OD1' ' A' ' 51' ' ' ASP . . . -172.7 114.38 0.52 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.429 1.081 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.731 ' HG2' HG22 ' A' ' 95' ' ' VAL . 2.6 mt-30 -55.34 88.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.651 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -98.68 147.33 24.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 166.9 172.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.372 1.045 . . . . 0.0 109.216 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.425 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 9.1 p90 -69.63 86.33 0.47 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.886 HG22 HG21 ' A' ' 85' ' ' THR . 0.4 OUTLIER -86.33 -49.7 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.206 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.538 ' HB2' ' CG ' ' A' ' 83' ' ' TRP . 1.2 t70 -91.78 170.87 9.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.186 . . . . 0.0 109.219 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.526 ' N ' ' CG ' ' A' ' 41' ' ' ASP . 27.9 m -33.66 94.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.597 1.186 . . . . 0.0 110.36 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 44.12 25.66 0.74 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 111.065 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.735 HG11 HD22 ' A' ' 77' ' ' LEU . 2.6 t -103.8 121.82 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.543 0.79 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.9 OUTLIER -74.97 88.12 2.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.688 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -96.93 146.86 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 59.3 m -102.89 155.18 18.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.52 ' CB ' HE21 ' A' ' 36' ' ' GLN . 9.7 m-80 -92.49 110.64 46.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.381 1.051 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.664 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 17.9 Cg_endo -74.98 7.54 2.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.591 1.838 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.741 ' HB1' ' CE2' ' A' ' 73' ' ' PHE . . . -105.95 -4.08 21.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.234 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.67 ' HB2' ' NE2' ' A' ' 36' ' ' GLN . 10.5 t0 -113.83 2.6 15.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.664 ' CD2' ' HA ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -58.25 107.85 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.415 ' CB ' HD21 ' A' ' 67' ' ' LEU . 38.9 t -153.62 96.71 2.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 12.4 p -60.02 132.4 53.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.891 HG21 ' HB ' ' A' ' 65' ' ' THR . 1.7 p -147.24 161.2 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.856 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -122.03 158.72 28.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.344 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.981 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -105.48 137.76 42.79 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -67.74 156.47 36.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.415 1.072 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.06 -34.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.405 1.065 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -87.42 36.99 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 39.13 41.5 1.42 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -102.72 101.47 11.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 0.0 109.991 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.596 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . . . -105.87 78.26 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.6 p -90.35 78.08 6.5 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.4 1.063 . . . . 0.0 109.915 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.891 ' HB ' HG21 ' A' ' 55' ' ' VAL . 15.0 t -108.33 129.14 55.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.548 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.463 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 19.6 p -98.17 147.93 24.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -158.58 -178.68 7.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.207 -179.913 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 9.6 t -106.26 128.92 54.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.867 HG11 HD22 ' A' ' 13' ' ' LEU . 60.0 t -88.54 88.41 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -107.98 79.37 1.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.662 ' HD2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -47.72 -25.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.36 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 10.2 p -92.32 112.21 24.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.741 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -179.61 162.14 1.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.594 1.184 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.533 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 5.9 tt0 -82.81 113.59 20.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.39 163.72 37.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.403 1.064 . . . . 0.0 111.036 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.565 ' CZ ' ' HG2' ' A' ' 82' ' ' ARG . 2.2 m-85 -119.71 121.73 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.724 . . . . 0.0 110.997 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.735 HD22 HG11 ' A' ' 44' ' ' VAL . 39.4 mt -41.67 161.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -75.9 -27.7 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 111.041 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -66.38 -54.8 20.21 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.06 -28.18 0.22 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.66 ' HB ' HD12 ' A' ' 77' ' ' LEU . 7.4 m -67.68 157.81 33.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 0.0 110.349 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -90.46 135.44 33.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.63 1.206 . . . . 0.0 110.281 179.939 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.538 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 65.7 t-105 -101.93 -89.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.533 ' HA2' ' CG ' ' A' ' 74' ' ' GLU . . . 144.21 -81.15 0.22 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.607 1.192 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.886 HG21 HG22 ' A' ' 40' ' ' VAL . 2.0 m 67.54 -57.4 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 72' ' ' SER . 59.0 t 72.1 -103.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.461 ' N ' HG12 ' A' ' 86' ' ' VAL . 9.7 t70 -64.51 96.6 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.059 . . . . 0.0 109.35 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 16.1 t -87.83 46.6 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 108.375 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 74.8 m -85.92 -22.19 27.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.496 1.122 . . . . 0.0 110.415 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.1 m -89.47 -44.45 10.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.627 1.205 . . . . 0.0 110.367 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.428 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -88.02 142.75 27.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.748 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -91.0 87.67 6.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.409 1.068 . . . . 0.0 109.233 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.484 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 63.3 m -67.84 133.89 49.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 108.394 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.443 ' H ' ' HB2' ' A' ' 38' ' ' ALA . 33.0 mt-30 -97.85 115.61 28.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.731 HG22 ' HG2' ' A' ' 36' ' ' GLN . 1.9 t -88.34 125.73 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.398 1.061 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -178.55 174.46 46.67 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.89 HD12 ' HB2' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -105.69 129.6 53.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 0.719 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.535 ' OG ' ' C8 ' ' A' ' 130' ' ' NCZ . 84.4 p -104.79 165.06 11.33 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.498 1.123 . . . . 0.0 110.095 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.564 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -86.05 158.91 19.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.393 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.79 13.1 15.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 109.32 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.86 -47.28 3.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.42 51.61 0.28 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 105' ' ' PRO . 82.2 m-20 -113.87 146.08 40.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 0.761 . . . . 0.0 109.364 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -31.66 93.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.817 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.598 ' HG2' ' C1 ' ' A' ' 130' ' ' NCZ . 18.2 Cg_endo -75.06 151.17 38.92 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.488 1.783 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.478 ' HG2' HG21 ' A' ' 4' ' ' THR . 0.9 OUTLIER -91.25 150.36 21.36 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 179.926 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -176.78 138.65 4.09 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 110' ' ' ILE . 2.2 p -105.69 120.58 56.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.587 0.816 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.748 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -61.61 82.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.392 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.618 HG23 ' CD2' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -84.78 158.29 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.614 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.5 t 150.0 -70.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.055 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.537 ' HA ' ' CB ' ' A' ' 11' ' ' SER . 84.3 t80 -169.99 164.34 9.5 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.425 ' N ' ' HB2' ' A' ' 11' ' ' SER . 59.1 t-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.351 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.598 ' C1 ' ' HG2' ' A' ' 105' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.984 ' HB1' ' O ' ' A' ' 24' ' ' ALA . . . -87.78 114.1 57.52 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.6 ' C ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.98 -2.9 13.15 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.563 1.823 . . . . 0.0 111.032 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.6 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.2 p 61.76 -163.89 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.61 1.194 . . . . 0.0 110.431 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.606 ' HB2' HD23 ' A' ' 26' ' ' LEU . . . -62.42 112.79 2.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.212 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.573 HG22 ' CG2' ' A' ' 108' ' ' VAL . 0.9 OUTLIER -140.48 146.11 37.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.827 HG13 ' HB ' ' A' ' 19' ' ' VAL . 1.5 t -88.01 121.75 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.744 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -55.95 -68.8 0.49 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 110.43 -179.921 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.928 ' HG2' HG12 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.93 59.88 5.24 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.581 1.832 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.55 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 85.0 p -88.3 21.56 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -107.94 137.7 45.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.586 1.179 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 37.57 48.18 1.72 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.421 1.075 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.831 HD12 ' C ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -42.99 163.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 0.0 109.347 179.922 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -139.38 142.92 37.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.674 1.234 . . . . 0.0 109.955 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -53.68 90.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.482 ' HA2' ' CG2' ' A' ' 68' ' ' THR . . . 104.43 38.75 2.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.585 1.178 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.613 HG22 HG13 ' A' ' 19' ' ' VAL . 1.0 OUTLIER -93.13 124.35 37.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 110.332 179.896 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -74.64 113.64 13.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.928 HG12 ' HG2' ' A' ' 9' ' ' PRO . 5.5 m -118.92 154.9 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.304 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 111.59 23.99 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.616 1.197 . . . . 0.0 109.218 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.738 HG22 HG23 ' A' ' 7' ' ' VAL . 95.2 t -89.17 92.31 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -88.66 116.55 26.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.457 ' HA2' ' N ' ' A' ' 5' ' ' ALA . . . -101.55 75.5 0.36 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.096 . . . . 0.0 111.062 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.984 ' O ' ' HB1' ' A' ' 2' ' ' ALA . . . -78.06 104.75 8.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.38 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 79.16 35.62 29.81 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.621 1.201 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.804 HD21 HD21 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -61.5 -121.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.584 0.814 . . . . 0.0 109.214 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.718 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -85.04 33.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 76.08 -13.59 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.636 1.21 . . . . 0.0 109.359 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.784 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 132.31 3.97 3.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.54 HG22 ' H ' ' A' ' 31' ' ' ALA . 2.0 m -58.01 -154.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.417 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.66 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -135.7 142.06 45.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.405 1.066 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.607 ' CD1' ' HA ' ' A' ' 99' ' ' ASP . 6.1 m-30 -151.04 169.9 20.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -91.02 111.22 22.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.943 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.673 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -79.06 136.86 22.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 109.226 -179.891 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.609 ' O ' H182 ' A' ' 130' ' ' NCZ . . . 178.03 160.4 24.39 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.608 1.192 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.829 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -96.41 101.51 13.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 0.796 . . . . 0.0 110.22 -179.932 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.562 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 3.5 t -107.89 151.64 25.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 108.334 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 175.47 167.54 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 109.309 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -68.24 108.18 3.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.632 1.207 . . . . 0.0 108.01 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.986 HG22 ' OG1' ' A' ' 85' ' ' THR . 0.4 OUTLIER -93.32 -46.0 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.362 179.949 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.609 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -89.7 -161.02 0.74 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.9 m -70.06 84.38 0.52 Allowed 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 124.378 1.049 . . . . 0.0 110.435 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.71 20.71 70.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.461 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 98.8 t -101.2 110.37 27.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.539 0.788 . . . . 0.0 109.228 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.505 HD22 ' H13' ' A' ' 130' ' ' NCZ . 0.3 OUTLIER -62.06 99.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.976 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -111.32 135.5 51.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.58 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 48.7 m -97.11 156.02 16.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 108.291 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.644 ' N ' HD22 ' A' ' 48' ' ' ASN . 1.9 m120 -79.25 161.64 67.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.403 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.552 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.1 -13.85 21.08 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.6 1.842 . . . . 0.0 110.942 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.62 18.73 20.55 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.591 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.02 9.26 20.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.552 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -104.38 88.23 2.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.628 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -148.33 83.73 1.49 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.629 1.206 . . . . 0.0 109.92 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.87 143.83 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.96 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.693 HG21 ' CB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -156.22 164.04 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 O-C-N 124.354 1.034 . . . . 0.0 109.364 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.66 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -145.41 153.65 41.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.424 1.077 . . . . 0.0 110.438 179.926 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.784 ' HB3' ' HA2' ' A' ' 29' ' ' GLY . . . -101.53 145.1 29.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.629 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER -59.02 160.96 5.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.7 -33.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.362 1.039 . . . . 0.0 109.108 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -88.39 34.04 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.197 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.629 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.82 45.11 7.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.156 . . . . 0.0 111.065 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 17.2 m -113.98 97.47 6.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 0.742 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.78 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -102.66 82.43 2.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.4 p -91.99 79.13 5.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.574 1.171 . . . . 0.0 110.043 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.693 ' CB ' HG21 ' A' ' 55' ' ' VAL . 2.3 t -107.36 142.68 36.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 110.39 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.8 p -100.21 133.18 44.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.687 1.242 . . . . 0.0 109.878 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.45 166.63 22.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.746 HG22 ' HG2' ' A' ' 70' ' ' ARG . 2.3 m -105.8 133.18 50.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.386 1.054 . . . . 0.0 110.439 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.603 HG23 HG22 ' A' ' 19' ' ' VAL . 22.7 t -88.79 84.88 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.746 ' HG2' HG22 ' A' ' 68' ' ' THR . 5.7 mmt85 -88.09 68.33 9.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.609 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 5.6 ttm180 -37.19 -30.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 21.8 p -93.88 122.25 36.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.927 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.7 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 178.01 168.12 0.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.429 1.08 . . . . 0.0 110.971 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -93.05 110.23 21.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.418 1.074 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.1 163.63 54.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.585 1.178 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -138.51 117.27 12.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.507 0.769 . . . . 0.0 110.984 -179.934 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.645 HD21 ' HB2' ' A' ' 83' ' ' TRP . 18.2 mt -52.78 163.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 79' ' ' ASP . 2.7 p90 -77.64 -34.29 53.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.422 1.076 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 78' ' ' PHE . 2.5 t0 -53.52 -50.56 65.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.548 1.155 . . . . 0.0 109.403 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.24 -22.1 0.76 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.2 m -77.95 138.62 38.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 0.76 . . . . 0.0 110.347 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 9.1 ptp180 -83.85 142.97 30.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.636 1.21 . . . . 0.0 110.244 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.645 ' HB2' HD21 ' A' ' 77' ' ' LEU . 76.0 t-105 -104.99 -90.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.485 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 150.06 -75.13 0.26 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.394 1.058 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.986 ' OG1' HG22 ' A' ' 40' ' ' VAL . 1.2 m 68.15 -57.25 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.648 0.852 . . . . 0.0 110.418 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 72' ' ' SER . 96.1 t 72.67 -102.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.503 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -73.16 101.58 3.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 0.9 OUTLIER -83.56 72.0 10.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 108.3 -179.937 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.5 m -105.55 -27.46 11.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 110.341 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.8 m -88.48 -43.27 11.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.313 1.008 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.442 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -87.05 140.51 29.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.37 90.07 7.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.066 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 29.3 m -65.97 132.07 47.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 108.307 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 87.8 mt-30 -104.13 116.99 33.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.829 HG22 ' HG2' ' A' ' 36' ' ' GLN . 13.6 t -88.36 116.2 29.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.447 1.092 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.518 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . -169.53 172.75 43.7 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.471 1.107 . . . . 0.0 111.091 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.804 HD21 HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -107.0 134.91 49.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.747 . . . . 0.0 109.351 179.883 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.3 p -104.66 167.54 9.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.607 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -64.28 161.53 16.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.55 -3.88 48.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.348 1.03 . . . . 0.0 109.325 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.25 -14.11 58.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.62 28.38 8.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.569 1.168 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.437 ' HA ' ' H16' ' A' ' 130' ' ' NCZ . 26.4 p-10 -150.03 160.63 43.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 0.729 . . . . 0.0 109.225 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 146.96 111.69 0.68 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.531 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.2 Cg_endo -74.98 -5.42 16.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.1 120.52 6.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 110.277 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -179.15 136.79 2.94 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.807 HG11 ' H ' ' A' ' 7' ' ' VAL . 8.2 p -103.92 118.31 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.415 0.715 . . . . 0.0 109.365 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.88 92.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.744 HG13 HG11 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -88.95 136.59 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.612 1.195 . . . . 0.0 109.247 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 4.1 t 145.33 -66.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.437 1.086 . . . . 0.0 110.056 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.545 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.1 OUTLIER 25.64 88.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.8 t30 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.372 179.921 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.609 H182 ' O ' ' A' ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.13 72.95 1.23 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.191 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.723 ' C ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.06 2.89 6.15 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.542 1.812 . . . . 0.0 111.039 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.723 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER 66.68 -146.33 0.17 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.812 ' HB1' HD11 ' A' ' 97' ' ' LEU . . . -76.52 111.01 11.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.586 1.179 . . . . 0.0 109.445 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.49 HG22 ' CG2' ' A' ' 108' ' ' VAL . 1.8 p -149.37 150.74 32.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.949 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.1 t -74.2 131.24 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.474 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.24 -55.27 1.4 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.949 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.14 -159.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.403 1.739 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.58 -44.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 109.989 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.43 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 45.1 m -78.81 78.99 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.597 ' CA ' HG11 ' A' ' 69' ' ' VAL . . . -58.58 -11.62 10.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.608 1.193 . . . . 0.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 111' ' ' SER . 1.3 pp -68.95 59.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -136.61 119.69 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.946 -179.892 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 14' ' ' SER . 6.0 p-10 -34.97 94.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 42.69 69.21 0.64 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.418 1.074 . . . . 0.0 111.016 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.508 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -74.29 123.22 24.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.358 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -94.46 120.15 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.382 1.051 . . . . 0.0 109.324 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.9 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -148.17 -170.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.467 1.105 . . . . 0.0 109.185 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 42.2 mttt -121.48 131.28 54.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.51 HG22 ' HA ' ' A' ' 7' ' ' VAL . 71.6 t -97.61 106.35 18.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -87.31 135.56 33.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -115.39 73.18 0.25 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.08 122.39 25.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 0.0 109.215 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 80.33 23.59 60.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.522 ' CD2' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -84.97 -146.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.451 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 2.4 mt-30 -83.67 80.96 8.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.503 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . -61.13 130.09 44.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.365 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.05 -22.89 16.36 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.546 1.153 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.449 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -90.59 -174.0 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 0.0 110.452 179.932 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.945 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -160.34 150.3 18.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -149.89 174.7 12.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 111.07 179.934 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -94.87 119.8 34.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.233 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.823 HG23 HG21 ' A' ' 55' ' ' VAL . 1.4 t -74.27 134.18 30.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.693 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . -179.48 147.88 7.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.666 1.229 . . . . 0.0 111.012 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.581 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -93.15 108.53 20.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 110.353 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.544 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 0.7 OUTLIER -106.39 154.56 20.62 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.58 1.175 . . . . 0.0 108.326 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 92' ' ' ALA . . . 177.68 162.95 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.562 ' CE3' ' O ' ' A' ' 39' ' ' TRP . 65.0 p-90 -67.11 106.47 1.99 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.059 HG22 ' OG1' ' A' ' 85' ' ' THR . 0.3 OUTLIER -89.11 -42.39 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.607 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 4.8 t0 -82.51 -153.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 42' ' ' THR . 7.5 t -80.79 54.74 2.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.49 1.119 . . . . 0.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.1 -0.82 40.94 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.426 1.079 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.519 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 18.0 t -79.62 115.25 21.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.376 0.692 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.472 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -63.17 99.46 0.18 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.311 1.007 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.964 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -109.61 145.25 36.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.612 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 83.0 m -103.77 159.13 15.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 0.0 108.304 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.7 HD22 ' N ' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -84.77 160.22 56.24 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.559 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 18.4 Cg_endo -74.93 -16.79 20.19 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.534 1.807 . . . . 0.0 111.021 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.53 17.6 23.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.576 1.173 . . . . 0.0 109.239 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.693 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.36 13.12 10.44 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.376 1.048 . . . . 0.0 109.336 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CD2' ' O ' ' A' ' 49' ' ' PRO . 16.1 m-85 -106.26 91.9 3.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 30.5 t -144.09 80.0 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 0.0 110.066 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.688 ' O ' HG13 ' A' ' 55' ' ' VAL . 96.3 p -46.08 136.48 6.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.967 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.823 HG21 HG23 ' A' ' 34' ' ' VAL . 6.7 m -159.75 168.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.945 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -139.02 169.28 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.918 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -106.57 138.48 42.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -73.75 154.7 39.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.86 -27.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.455 ' N ' ' C ' ' A' ' 58' ' ' ASP . 6.4 t30 -87.3 31.45 0.73 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.07 41.56 2.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.479 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 71.7 m -118.04 113.42 21.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 0.728 . . . . 0.0 109.99 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.48 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . . . -98.43 95.81 7.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.059 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.4 p -88.18 87.31 7.28 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.589 ' HB ' HG11 ' A' ' 55' ' ' VAL . 3.3 p -107.27 165.91 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.374 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 2.2 p -136.56 133.93 36.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.059 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.836 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -160.43 167.72 26.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.373 1.045 . . . . 0.0 109.173 -179.942 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.836 ' H ' HD13 ' A' ' 67' ' ' LEU . 11.1 t -105.27 142.84 34.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.37 1.044 . . . . 0.0 110.402 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.597 HG11 ' CA ' ' A' ' 12' ' ' GLY . 60.8 t -88.88 87.22 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.522 ' NH1' ' HB2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -88.94 126.84 35.57 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.616 1.198 . . . . 0.0 110.378 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.408 ' C ' HH12 ' A' ' 70' ' ' ARG . 2.1 tmm_? -93.33 -37.0 12.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 0.0 110.165 -179.816 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 2.4 m -106.02 125.27 50.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CD2' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 174.92 161.99 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.913 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 2.6 tp10 -83.14 125.17 31.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.207 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.404 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -94.09 170.92 30.75 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.458 1.098 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.489 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -130.36 126.3 36.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 0.0 110.988 -179.934 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 83' ' ' TRP . 4.9 mt -62.02 157.14 19.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.394 1.059 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -75.17 -29.43 60.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 111.018 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -54.59 -56.36 19.81 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.58 -26.79 0.24 Allowed Glycine 0 CA--C 1.532 1.122 0 O-C-N 124.476 1.11 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m -83.73 149.35 26.52 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 0.781 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 8.9 mtt-85 -86.05 144.67 27.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 110.363 179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.607 ' CE3' ' OD1' ' A' ' 41' ' ' ASP . 44.5 t-105 -104.74 -90.52 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.518 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 146.86 -75.8 0.28 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.518 1.136 . . . . 0.0 111.093 -179.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 1.059 ' OG1' HG22 ' A' ' 40' ' ' VAL . 17.0 m 69.22 -55.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 0.726 . . . . 0.0 110.318 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.501 ' HB ' ' O ' ' A' ' 85' ' ' THR . 65.8 t 73.03 -100.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.426 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -60.69 117.59 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.577 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 9.2 t -91.07 40.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.373 1.046 . . . . 0.0 108.193 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.582 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 8.6 t -90.06 -24.1 21.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.7 m -89.57 -57.92 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HA ' ' CH2' ' A' ' 39' ' ' TRP . . . -90.31 137.38 32.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.579 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . . . -82.04 127.84 33.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.387 1.054 . . . . 0.0 109.21 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 122.07 33.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.072 . . . . 0.0 108.285 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.579 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 21.4 mt-30 -102.98 117.5 34.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.538 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.3 t -86.3 116.81 29.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.342 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -156.49 168.07 33.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.904 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.859 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -105.96 127.01 52.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.579 0.811 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 32' ' ' TYR . 21.5 t -95.65 145.95 24.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.958 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -96.83 159.61 14.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.38 -3.58 37.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.88 -19.25 26.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.0 42.36 25.03 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 0.4 OUTLIER -94.72 137.1 34.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.82 97.68 0.01 OUTLIER Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.561 1.163 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.523 ' HG2' ' C2 ' ' A' ' 130' ' ' NCZ . 18.3 Cg_endo -75.02 139.32 24.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.565 1.824 . . . . 0.0 110.983 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.83 107.49 19.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -99.5 153.71 19.65 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.418 1.074 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 95' ' ' VAL . 9.6 p -105.39 114.52 45.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.6 0.824 . . . . 0.0 109.257 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.98 93.97 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.677 HD13 HG21 ' A' ' 7' ' ' VAL . 3.0 tp -70.89 145.0 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.656 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -70.16 56.77 0.15 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.155 . . . . 0.0 109.945 -179.922 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.582 ' CE1' ' HA ' ' A' ' 89' ' ' THR . 5.7 p90 -41.01 163.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 1.097 . . . . 0.0 111.048 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.969 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.612 ' C10' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.544 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -162.68 66.98 1.82 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.427 ' O ' HG23 ' A' ' 6' ' ' THR . 18.8 Cg_endo -74.88 49.16 2.15 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.49 1.784 . . . . 0.0 111.073 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.604 ' HB ' HD22 ' A' ' 26' ' ' LEU . 10.1 p 36.34 -135.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.47 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.6 ' HB2' HD21 ' A' ' 97' ' ' LEU . . . -86.58 113.14 22.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -141.58 147.76 38.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.57 1.169 . . . . 0.0 110.489 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.98 HG12 ' HD2' ' A' ' 9' ' ' PRO . 4.5 t -80.53 133.35 29.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.586 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.81 -60.73 0.44 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 110.415 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.98 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.9 Cg_endo -74.96 -159.79 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.781 . . . . 0.0 111.038 179.87 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.744 ' HA ' HD11 ' A' ' 110' ' ' ILE . 18.5 m -151.79 -64.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.474 ' CB ' ' HA ' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -116.0 164.09 14.95 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.113 . . . . 0.0 110.033 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.01 25.02 53.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.09 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.002 HD12 HG23 ' A' ' 110' ' ' ILE . 4.3 mt -79.08 152.75 30.66 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.465 0.744 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.4 t -126.01 150.56 48.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.427 ' CB ' ' HB2' ' A' ' 72' ' ' SER . 0.3 OUTLIER -55.65 81.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.395 1.059 . . . . 0.0 109.382 179.927 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 125.55 35.32 0.61 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.456 ' O ' ' HA ' ' A' ' 68' ' ' THR . 83.9 m -85.78 105.2 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 0.752 . . . . 0.0 110.304 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -73.38 118.62 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.803 HG11 ' CG ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -144.91 176.85 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.61 1.193 . . . . 0.0 109.141 -179.875 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -114.45 127.63 55.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.631 HG22 HG22 ' A' ' 7' ' ' VAL . 53.0 t -101.51 107.45 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.21 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.15 128.44 35.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.577 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -106.38 93.18 0.85 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.535 1.147 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' CB ' ' HA ' ' A' ' 2' ' ' ALA . . . -91.4 104.5 17.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 0.792 . . . . 0.0 109.23 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.36 30.42 27.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.629 HD12 ' H ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.66 -141.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.347 179.864 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.998 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 19.0 mm-40 -52.42 90.81 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.564 1.165 . . . . 0.0 110.322 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.02 84.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 76.99 5.06 84.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.573 1.17 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.515 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -90.0 -175.81 4.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 0.769 . . . . 0.0 110.399 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.77 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -144.11 115.54 8.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.606 ' CE1' ' OE1' ' A' ' 27' ' ' GLN . 4.6 m-30 -115.52 -168.89 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.432 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 37.1 t70 -115.58 111.84 21.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.705 1.253 . . . . 0.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.729 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -76.39 138.68 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.643 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 179.6 153.69 12.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.523 ' CG ' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -94.12 96.01 9.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.759 . . . . 0.0 110.279 -179.92 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.622 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 11.8 t -107.36 164.09 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 108.351 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 167.57 159.22 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.578 1.174 . . . . 0.0 109.241 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.499 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 28.8 p90 -74.15 118.81 17.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 107.988 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.057 HG11 ' CG ' ' A' ' 83' ' ' TRP . 1.2 p -108.61 -36.14 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.411 179.908 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -90.38 -175.41 4.47 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 44' ' ' VAL . 17.1 m -54.47 84.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.367 -179.892 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 59.95 18.01 45.77 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.509 1.131 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.959 ' CG1' HD23 ' A' ' 77' ' ' LEU . 9.6 t -93.97 122.67 45.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.401 0.706 . . . . 0.0 109.247 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.911 HD21 H173 ' A' ' 130' ' ' NCZ . 13.8 tp -77.32 112.21 13.79 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.387 1.054 . . . . 0.0 109.38 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.465 ' HB2' ' HG ' ' A' ' 77' ' ' LEU . . . -125.21 140.75 52.58 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.609 1.193 . . . . 0.0 109.361 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.577 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 3.9 m -110.52 150.44 28.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 108.417 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.575 ' CG ' ' CZ ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -78.15 168.28 28.79 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.594 1.184 . . . . 0.0 109.343 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.557 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.8 Cg_endo -74.99 -9.55 20.83 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.17 16.66 23.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.643 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -87.5 6.25 35.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 109.214 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.557 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -107.98 96.43 6.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 110.907 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.442 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -150.06 84.56 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.041 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.553 ' O ' HG23 ' A' ' 55' ' ' VAL . 91.3 p -38.48 144.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.946 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 54' ' ' SER . 2.7 t -155.93 153.38 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.77 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -139.19 141.67 37.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.468 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.998 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -105.97 142.61 35.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -64.68 158.06 25.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.65 -28.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.425 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' C ' ' A' ' 58' ' ' ASP . 19.0 t30 -87.67 33.23 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.15 41.55 4.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.12 100.17 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 0.712 . . . . 0.0 110.019 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.962 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -103.04 82.46 2.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.0 p -88.81 83.16 6.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.368 1.042 . . . . 0.0 109.945 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.524 HG21 HG21 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -106.96 163.02 13.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.395 179.929 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.5 p -135.35 134.56 39.93 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.956 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.885 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -158.73 172.23 18.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.885 ' H ' HD13 ' A' ' 67' ' ' LEU . 14.3 t -106.17 140.75 38.65 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.564 1.165 . . . . 0.0 110.513 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.593 HG21 HD13 ' A' ' 13' ' ' LEU . 9.3 t -88.24 87.51 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.673 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -88.29 65.45 8.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.338 1.024 . . . . 0.0 110.351 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.542 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 5.7 ttp85 -39.15 -28.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 86' ' ' VAL . 4.2 m -93.79 137.11 33.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 110.061 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.673 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 161.44 175.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.373 1.046 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.593 ' HA ' ' HA2' ' A' ' 84' ' ' GLY . 4.5 tp10 -92.98 103.94 16.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.653 ' HA3' ' CE3' ' A' ' 83' ' ' TRP . . . -80.33 166.47 49.68 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.524 1.14 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -146.37 145.66 30.37 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.512 0.772 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.959 HD23 ' CG1' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -91.25 145.77 24.38 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.196 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -83.92 -11.68 56.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -43.09 57.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 154.64 -24.64 0.65 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.406 1.066 . . . . 0.0 111.092 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.881 ' HB ' HD22 ' A' ' 77' ' ' LEU . 22.6 m -76.16 168.51 19.91 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 0.747 . . . . 0.0 110.3 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.537 ' C ' HD13 ' A' ' 77' ' ' LEU . 9.2 ptp180 -109.53 142.02 41.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 1.057 ' CG ' HG11 ' A' ' 40' ' ' VAL . 1.5 t90 -97.15 -86.23 0.34 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.593 ' HA2' ' HA ' ' A' ' 74' ' ' GLU . . . 83.57 -114.71 3.92 Favored Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.552 1.158 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.738 ' C ' HG23 ' A' ' 86' ' ' VAL . 26.7 m 82.81 -54.06 0.18 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.462 0.742 . . . . 0.0 110.463 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.738 HG23 ' C ' ' A' ' 85' ' ' THR . 2.8 t 85.79 -15.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -144.53 111.29 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 7.9 t -91.79 66.48 5.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.606 1.191 . . . . 0.0 108.329 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 t -104.17 -15.48 15.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 91' ' ' ALA . 9.7 t -89.34 -54.77 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 110.372 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.734 ' HB3' HG23 ' A' ' 40' ' ' VAL . . . -90.46 155.2 19.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -88.22 118.68 27.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.604 1.19 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.01 124.27 35.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.365 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.487 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -105.43 123.33 47.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.608 1.193 . . . . 0.0 110.273 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.523 HG13 ' CG ' ' A' ' 36' ' ' GLN . 1.9 t -89.41 132.04 35.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 179.15 172.45 43.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.729 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -107.35 136.25 47.48 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.928 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.449 ' HB2' ' C15' ' A' ' 130' ' ' NCZ . 87.8 p -106.08 159.09 16.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.603 1.189 . . . . 0.0 110.084 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.586 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -69.14 161.22 29.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.891 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.03 -5.02 58.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.4 -84.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -177.81 35.92 0.08 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.578 1.174 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 61.8 m-80 -148.94 163.89 36.16 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.476 0.751 . . . . 0.0 109.407 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.439 ' N ' ' O5 ' ' A' ' 130' ' ' NCZ . . . 164.58 81.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.81 -6.44 18.15 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.5 145.83 41.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 143.37 130.62 2.42 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.501 1.125 . . . . 0.0 111.131 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 4.2 p -106.03 134.61 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.386 0.698 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.79 93.97 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 1.002 HG23 HD12 ' A' ' 13' ' ' LEU . 1.1 tp -102.74 144.98 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.0 t 156.3 -55.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.051 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.474 ' HA ' ' CB ' ' A' ' 11' ' ' SER . 5.5 t80 -170.9 172.7 5.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.441 ' N ' ' HB2' ' A' ' 11' ' ' SER . 1.5 m-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.911 H173 HD21 ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.716 ' C ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.862 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -123.3 38.69 0.39 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.862 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 17.9 Cg_endo -75.07 52.92 3.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.435 ' HG1' ' C ' ' A' ' 3' ' ' PRO . 73.5 p 46.66 -124.5 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.727 ' HB2' HD23 ' A' ' 26' ' ' LEU . . . -83.49 122.44 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.725 HG21 ' HG2' ' A' ' 3' ' ' PRO . 1.1 p -144.01 146.94 33.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.11 . . . . 0.0 110.384 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.632 HG13 ' HD2' ' A' ' 9' ' ' PRO . 2.3 t -87.62 115.31 27.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.659 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -38.22 -64.35 0.46 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.659 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.03 -155.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.434 1.755 . . . . 0.0 111.031 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.519 ' OG ' ' CD2' ' A' ' 13' ' ' LEU . 95.6 p -104.79 -24.77 12.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.541 1.151 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.75 ' OG ' HG11 ' A' ' 19' ' ' VAL . 0.5 OUTLIER 48.92 -179.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.893 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.18 -46.64 3.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.519 ' CD2' ' OG ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -42.96 -34.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.553 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -129.17 116.61 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.94 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.493 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 14.5 p-10 -59.06 78.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.07 . . . . 0.0 109.274 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.616 ' C ' HG23 ' A' ' 68' ' ' THR . . . 128.04 40.5 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.478 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 24.0 m -87.82 121.84 30.73 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.474 0.749 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.01 122.47 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.75 HG11 ' OG ' ' A' ' 11' ' ' SER . 1.2 m -136.35 175.87 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.359 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -118.44 116.02 25.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.362 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.424 HG22 ' CG2' ' A' ' 7' ' ' VAL . 80.5 t -90.7 100.18 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.17 124.23 33.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -103.58 107.2 2.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.417 ' HB3' ' HA ' ' A' ' 2' ' ' ALA . . . -104.35 98.82 8.55 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.495 0.762 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.57 39.98 20.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.918 ' HG ' HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -88.93 -122.04 0.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 109.374 179.938 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.815 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 14.1 mm100 -38.89 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.547 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 61.9 26.06 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 124.91 -15.43 7.42 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.467 1.104 . . . . 0.0 110.954 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.55 ' CA ' ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -83.46 -166.48 1.39 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 0.816 . . . . 0.0 110.418 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.972 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -150.73 148.69 28.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.637 1.211 . . . . 0.0 109.218 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.656 ' CD2' ' OE1' ' A' ' 27' ' ' GLN . 2.6 m-30 -150.15 -172.19 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.456 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -100.71 113.49 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.911 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.64 HG23 HG11 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -82.04 139.84 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 -179.956 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.602 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 171.86 160.48 20.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.365 1.041 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.54 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 0.6 OUTLIER -92.04 101.49 14.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.288 -179.927 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.649 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 2.7 t -106.4 153.55 22.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 108.251 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -179.49 159.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.363 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.582 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 20.0 m-90 -67.72 112.34 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 108.006 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.645 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -101.96 -49.8 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.91 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.594 ' OD2' HG21 ' A' ' 44' ' ' VAL . 1.1 t70 -91.09 169.32 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.575 ' O ' ' CG2' ' A' ' 42' ' ' THR . 1.5 t -35.25 102.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.474 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.87 26.37 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.734 ' CG1' HD12 ' A' ' 77' ' ' LEU . 2.1 t -101.89 122.84 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.577 0.81 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -74.73 109.44 8.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.487 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -121.39 141.69 50.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.403 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.577 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 36.7 m -104.89 158.64 16.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.374 1.046 . . . . 0.0 108.282 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.487 ' N ' HD22 ' A' ' 48' ' ' ASN . 0.9 OUTLIER -82.54 164.97 44.85 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.605 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.02 -15.16 20.85 Favored 'Trans proline' 0 C--N 1.362 1.27 0 O-C-N 124.477 1.778 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.631 ' HB2' HH11 ' A' ' 70' ' ' ARG . . . -105.47 12.81 31.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 109.213 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.603 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -89.32 11.49 18.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.585 1.178 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -105.75 87.81 2.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.354 1.034 . . . . 0.0 110.947 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.498 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -147.64 86.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.904 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -36.76 151.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.043 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.671 HG23 ' HB ' ' A' ' 65' ' ' THR . 14.7 p -155.06 156.38 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.972 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -146.26 131.0 17.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.382 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.815 ' HB3' ' HB2' ' A' ' 27' ' ' GLN . . . -93.31 122.89 36.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.204 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 61' ' ' GLY . 1.3 m-20 -50.56 165.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.377 1.048 . . . . 0.0 109.3 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.77 -42.29 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.391 1.057 . . . . 0.0 109.318 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -86.75 38.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.2 39.34 3.99 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -94.43 90.25 6.16 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.438 0.728 . . . . 0.0 110.024 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.705 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.14 80.34 1.5 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.6 1.188 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -93.96 80.31 4.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.397 1.061 . . . . 0.0 110.004 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.671 ' HB ' HG23 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -107.99 131.73 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.358 1.036 . . . . 0.0 110.356 -179.941 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 10.8 p -102.36 137.68 40.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.428 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -154.54 178.21 10.33 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.406 1.066 . . . . 0.0 109.344 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.645 HG22 ' HG3' ' A' ' 70' ' ' ARG . 4.4 m -103.85 127.94 51.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.445 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.694 HG11 HG12 ' A' ' 110' ' ' ILE . 25.2 t -88.88 88.89 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.645 ' HG3' HG22 ' A' ' 68' ' ' THR . 0.8 OUTLIER -92.73 95.19 9.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.241 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -62.73 -39.02 92.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.505 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -87.98 130.32 34.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.925 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 163.44 173.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.394 1.059 . . . . 0.0 110.935 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.573 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 1.1 tp10 -80.76 118.28 22.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.07 161.65 28.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.573 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 2.2 m-85 -135.86 138.35 42.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.032 HD23 HG23 ' A' ' 81' ' ' THR . 0.4 OUTLIER -72.1 153.07 41.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.534 ' CD2' ' O5 ' ' A' ' 130' ' ' NCZ . 3.4 t80 -78.71 -22.36 46.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.4 -52.36 65.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.44 -27.83 0.21 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 1.032 HG23 HD23 ' A' ' 77' ' ' LEU . 1.6 t -85.18 174.51 9.6 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.396 0.703 . . . . 0.0 110.352 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.477 ' C ' HD22 ' A' ' 77' ' ' LEU . 11.2 ptt180 -117.34 150.5 38.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.757 ' HB2' HD11 ' A' ' 77' ' ' LEU . 36.3 t-105 -105.8 -87.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.588 1.18 . . . . 0.0 108.04 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 138.0 -101.73 0.34 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.494 1.121 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.932 ' O ' HG22 ' A' ' 86' ' ' VAL . 1.9 m 86.91 -61.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 0.752 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.932 HG22 ' O ' ' A' ' 85' ' ' THR . 0.8 OUTLIER 79.36 -18.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.219 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.467 ' H ' ' C ' ' A' ' 85' ' ' THR . 0.6 OUTLIER -141.97 104.3 4.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.607 1.192 . . . . 0.0 109.373 179.859 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 39.4 t -89.29 48.58 1.63 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.455 1.097 . . . . 0.0 108.273 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.6 t -91.85 -15.34 28.33 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.8 m -88.08 -53.16 4.86 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.598 1.186 . . . . 0.0 110.411 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -90.86 134.65 34.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -68.57 113.5 6.15 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.418 1.074 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.402 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -86.94 123.05 31.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 108.316 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.54 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 1.3 pt20 -104.98 122.48 45.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.631 ' O ' HG12 ' A' ' 108' ' ' VAL . 5.5 t -85.69 112.07 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.541 ' C ' H183 ' A' ' 130' ' ' NCZ . . . -161.44 177.39 37.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.918 HD11 ' HG ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -106.62 126.02 51.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.364 179.898 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.509 ' HB3' ' C8 ' ' A' ' 130' ' ' NCZ . 93.3 p -86.47 155.24 20.61 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.482 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -79.04 159.92 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.0 109.262 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.62 11.29 15.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.391 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.14 -74.07 0.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.389 1.056 . . . . 0.0 109.344 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 159.63 47.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.415 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 15.6 m-80 -121.26 161.85 21.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.272 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.67 98.58 1.08 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 -163.34 0.18 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.452 1.764 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.2 137.03 32.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.349 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -130.59 160.32 23.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.586 1.179 . . . . 0.0 111.065 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 95' ' ' VAL . 10.8 p -94.93 117.69 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.563 0.802 . . . . 0.0 109.246 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.43 92.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.694 HG12 HG11 ' A' ' 69' ' ' VAL . 1.0 OUTLIER -75.11 161.66 4.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.58 1.175 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.4 OUTLIER 158.63 -72.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.003 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.401 ' CG ' ' N ' ' A' ' 113' ' ' ASN . 12.8 t80 179.29 157.94 0.59 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.401 ' N ' ' CG ' ' A' ' 112' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.544 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.649 ' C6 ' ' CB ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.54 ' HB1' HG21 ' A' ' 6' ' ' THR . . . -95.17 154.94 39.43 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.407 1.067 . . . . 0.0 109.365 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.601 ' C ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.97 132.73 15.8 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.396 1.735 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.601 HG23 ' C ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 52.37 177.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.716 ' H ' HD23 ' A' ' 26' ' ' LEU . . . -44.86 132.77 6.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.398 1.061 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.54 HG21 ' HB1' ' A' ' 2' ' ' ALA . 1.1 p -150.74 144.98 25.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.993 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.4 t -82.86 127.67 39.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.524 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -38.47 -57.84 1.75 Allowed Pre-proline 0 C--N 1.328 -0.366 0 O-C-N 124.529 1.143 . . . . 0.0 110.439 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.993 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -75.03 -161.61 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.783 . . . . 0.0 110.981 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.647 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -141.79 -47.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -68.87 64.61 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.94 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.736 ' CA ' HD12 ' A' ' 110' ' ' ILE . . . -48.02 -20.42 1.32 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.893 ' O ' HD12 ' A' ' 13' ' ' LEU . 3.7 pp -65.93 66.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.391 0.701 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -140.76 123.22 15.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.158 179.954 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 14' ' ' SER . 5.8 p-10 -35.57 93.82 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.445 1.09 . . . . 0.0 109.229 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 42.44 68.83 0.68 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.653 1.22 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.501 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -74.47 123.07 24.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 0.773 . . . . 0.0 110.488 179.867 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -97.1 124.2 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.221 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.928 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -149.96 -169.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.889 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -104.25 141.86 35.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.339 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 6' ' ' THR . 59.3 t -118.0 91.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.06 131.54 37.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.529 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -128.55 102.68 0.58 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.39 115.12 24.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 0.812 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.66 34.96 29.95 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.422 1.077 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.716 HD23 ' H ' ' A' ' 5' ' ' ALA . 1.5 tm? -74.56 -99.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 109.143 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.597 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -83.78 10.94 8.29 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 74.56 -3.19 2.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.398 1.062 . . . . 0.0 109.265 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 124.83 -2.28 8.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.595 1.184 . . . . 0.0 111.011 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.617 HG22 ' H ' ' A' ' 31' ' ' ALA . 2.9 m -61.03 -154.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.42 0.718 . . . . 0.0 110.428 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.642 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -138.68 110.32 7.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.65 1.219 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.597 ' CE2' ' HG2' ' A' ' 27' ' ' GLN . 2.8 m-30 -119.87 -172.81 2.41 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.5 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 94.8 m-20 -111.17 114.58 27.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.839 HG21 HG21 ' A' ' 65' ' ' THR . 1.3 t -76.72 137.71 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.407 1.067 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.62 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 177.91 153.39 11.11 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.423 1.077 . . . . 0.0 111.067 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.09 95.66 9.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 0.0 110.384 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.655 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 6.2 t -105.0 156.88 17.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 108.31 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.53 ' HB2' ' H ' ' A' ' 94' ' ' GLN . . . 176.26 163.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 41.4 p-90 -71.18 117.41 12.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 108.025 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' A' ' 46' ' ' ALA . 4.4 p -102.54 -48.69 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.203 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.7 ' HB2' HD21 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -85.31 -160.21 0.49 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.571 1.169 . . . . 0.0 109.31 -179.9 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.9 m -66.52 80.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.05 10.36 56.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.697 ' CG1' HD22 ' A' ' 77' ' ' LEU . 9.7 t -84.57 111.99 21.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.738 . . . . 0.0 109.379 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.547 HD22 H173 ' A' ' 130' ' ' NCZ . 3.3 mt -67.45 107.73 2.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.71 ' HB2' HD23 ' A' ' 77' ' ' LEU . . . -121.83 143.38 49.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.602 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 4.0 m -109.21 152.03 25.72 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.479 1.112 . . . . 0.0 108.303 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.546 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -77.91 171.94 11.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.231 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.601 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.03 -12.3 21.45 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 110.949 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.28 18.29 21.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.62 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 3.0 t70 -88.34 5.07 43.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -107.89 95.08 5.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.584 1.177 . . . . 0.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.419 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 13.6 t -146.62 80.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.971 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 99.6 p -46.42 134.13 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.185 . . . . 0.0 110.049 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.811 HG21 ' HB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -159.56 164.94 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 O-C-N 124.448 1.093 . . . . 0.0 109.379 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.642 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -132.65 158.2 42.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.337 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.451 ' O ' ' HA2' ' A' ' 29' ' ' GLY . . . -102.05 151.84 21.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.632 ' O ' ' N ' ' A' ' 61' ' ' GLY . 1.3 m-20 -68.61 162.81 25.1 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.637 1.211 . . . . 0.0 109.216 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.1 -40.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.391 1.057 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -87.24 38.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.53 43.67 3.92 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 74.9 m -105.28 100.64 10.22 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.496 0.762 . . . . 0.0 110.024 179.884 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -99.65 97.61 8.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.4 p -105.77 76.83 1.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.839 HG21 HG21 ' A' ' 34' ' ' VAL . 8.1 t -109.45 139.53 44.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.426 1.079 . . . . 0.0 110.367 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.0 p -89.7 134.03 34.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.731 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -144.04 165.99 26.23 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 109.214 -179.867 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.81 HG23 ' HG2' ' A' ' 70' ' ' ARG . 13.5 t -105.84 144.33 32.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.397 1.061 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.503 HG11 ' CA ' ' A' ' 12' ' ' GLY . 93.5 t -89.82 85.28 2.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 O-C-N 124.475 1.11 . . . . 0.0 109.162 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.81 ' HG2' HG23 ' A' ' 68' ' ' THR . 0.9 OUTLIER -88.01 75.51 8.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.677 1.236 . . . . 0.0 110.336 179.909 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.515 ' CG ' ' CB ' ' A' ' 88' ' ' CYS . 16.6 ttp85 -53.37 -31.0 42.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.334 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.667 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 86.9 p -106.63 129.68 54.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.597 1.186 . . . . 0.0 109.999 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.667 ' CD1' ' O ' ' A' ' 72' ' ' SER . 0.5 OUTLIER 158.92 126.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.382 1.051 . . . . 0.0 110.975 179.857 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.9 ' HA ' HG23 ' A' ' 86' ' ' VAL . 0.7 OUTLIER -75.3 113.05 12.22 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -103.9 -148.25 18.83 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.426 1.079 . . . . 0.0 110.97 -179.877 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 7.7 m-85 -126.95 151.11 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.792 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.71 HD23 ' HB2' ' A' ' 46' ' ' ALA . 1.8 mt -90.29 171.31 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.587 ' CD1' HG13 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -57.51 -29.19 64.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.563 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 7.8 t70 -73.28 -62.66 1.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.429 ' O ' ' CD2' ' A' ' 76' ' ' PHE . . . 166.48 -28.61 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.426 1.079 . . . . 0.0 111.0 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 76' ' ' PHE . 84.2 m -39.58 154.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 0.772 . . . . 0.0 110.332 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.53 72.28 3.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.066 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.687 ' O ' ' N ' ' A' ' 75' ' ' GLY . 1.9 t90 -112.2 -83.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.66 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 53.06 139.61 0.0 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.425 1.078 . . . . 0.0 110.944 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.639 ' C ' ' O ' ' A' ' 84' ' ' GLY . 1.3 m 14.27 -81.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 0.749 . . . . 0.0 110.444 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.9 HG23 ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER 78.5 -53.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 124.452 1.095 . . . . 0.0 109.234 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.545 ' N ' HG12 ' A' ' 86' ' ' VAL . 7.0 t0 -151.43 87.22 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.515 ' CB ' ' CG ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -71.64 57.96 0.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 108.25 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.0 m -93.61 -4.61 50.46 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.453 1.096 . . . . 0.0 110.417 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.1 m -149.75 -44.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.447 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.74 133.34 39.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 109.36 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.29 126.71 32.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.36 125.65 36.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.53 ' H ' ' HB2' ' A' ' 38' ' ' ALA . 35.4 mt-30 -98.05 116.46 30.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 3.4 t -88.95 114.89 27.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.336 1.023 . . . . 0.0 109.259 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.85 170.98 39.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.701 HD21 ' HB2' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -105.48 122.0 45.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.348 0.675 . . . . 0.0 109.356 179.938 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.9 p -93.25 163.54 13.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 110.038 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -75.56 159.39 31.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.585 1.178 . . . . 0.0 109.376 179.896 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.15 9.75 14.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.39 -79.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 174.77 45.89 0.05 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -134.61 156.73 48.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 0.732 . . . . 0.0 109.375 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -126.04 111.2 1.4 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.397 1.061 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.83 -165.33 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.47 1.773 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.81 138.03 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -119.76 169.63 13.88 Favored Glycine 0 CA--C 1.528 0.883 0 O-C-N 124.489 1.118 . . . . 0.0 111.078 179.892 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.636 HG11 HG23 ' A' ' 7' ' ' VAL . 5.4 p -103.97 114.6 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.562 0.801 . . . . 0.0 109.237 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.64 91.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.345 1.028 . . . . 0.0 109.326 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.736 HD12 ' CA ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -96.65 127.37 48.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.203 -179.907 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.801 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER 163.4 -45.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.985 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 112' ' ' PHE . 1.4 p90 -151.43 134.53 15.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 0.0 111.099 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.144 -179.841 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.655 ' C6 ' ' CB ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.538 ' O ' HG21 ' A' ' 6' ' ' THR . . . 64.58 73.85 0.43 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.617 1.198 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.552 ' C ' HG23 ' A' ' 4' ' ' THR . 18.1 Cg_endo -75.04 -175.92 2.62 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.615 1.85 . . . . 0.0 110.966 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.552 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.4 p 60.44 -158.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 110.38 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.864 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . . . -66.57 119.31 11.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.538 HG21 ' O ' ' A' ' 2' ' ' ALA . 1.0 OUTLIER -141.5 144.82 34.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.779 HG12 ' HD2' ' A' ' 9' ' ' PRO . 1.7 t -83.53 137.91 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.182 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.45 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.62 -54.08 1.3 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.541 179.872 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.779 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.12 -157.14 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.473 1.776 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.421 ' N ' HD11 ' A' ' 110' ' ' ILE . 60.7 p -145.56 -67.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 -179.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -129.82 -179.55 5.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.058 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 112' ' ' PHE . . . 57.32 52.84 49.18 Favored Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.961 HD12 HG11 ' A' ' 69' ' ' VAL . 28.2 mt -90.41 -178.93 5.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 0.733 . . . . 0.0 109.23 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.5 t -126.53 148.58 49.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 109.925 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -56.5 80.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.546 1.154 . . . . 0.0 109.391 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 117.72 40.84 0.69 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.514 1.133 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.675 HG21 HD22 ' A' ' 13' ' ' LEU . 35.4 m -80.32 107.39 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 0.795 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -81.76 123.77 38.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.526 HG11 ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -151.41 178.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.87 137.62 38.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 6' ' ' THR . 21.4 t -115.8 100.36 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.227 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.09 128.9 37.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.421 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -115.49 97.77 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.55 115.89 28.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.431 0.724 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.72 17.16 62.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.045 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.864 ' CD1' ' HB2' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -84.53 -147.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 0.736 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.852 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 60.4 mm-40 -46.16 89.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -58.96 84.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.604 1.19 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 74.91 7.63 81.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.599 1.187 . . . . 0.0 111.053 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.485 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.13 -178.39 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.4 0.706 . . . . 0.0 110.346 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.7 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -139.56 113.5 8.73 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.653 ' CE2' ' NE2' ' A' ' 27' ' ' GLN . 3.5 m-30 -115.76 -171.27 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -109.06 109.27 20.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.083 ' CG2' HD22 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -73.92 137.17 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.62 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 175.2 159.41 21.27 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.499 ' HA ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -96.03 93.41 6.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 0.752 . . . . 0.0 110.291 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.713 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 4.7 t -106.82 164.36 12.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 108.279 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 161.63 172.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.436 ' CD1' ' O ' ' A' ' 39' ' ' TRP . 19.4 p90 -66.82 102.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 108.04 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 41' ' ' ASP . 2.7 m -85.6 -53.4 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.527 ' N ' ' CG2' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -90.27 -165.14 1.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.909 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.5 m -76.37 94.65 3.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.379 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.59 14.34 72.26 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.627 1.204 . . . . 0.0 111.071 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.469 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 8.8 t -104.79 107.98 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.208 -179.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.7 HD22 H173 ' A' ' 130' ' ' NCZ . 0.2 OUTLIER -78.82 110.03 13.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.61 1.194 . . . . 0.0 109.367 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.57 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . . . -126.75 166.46 17.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.173 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.614 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 2.4 m -127.25 144.87 50.96 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.463 1.102 . . . . 0.0 108.153 -179.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.567 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 1.1 m120 -66.34 169.76 6.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.397 1.061 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.61 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.5 Cg_endo -74.92 -13.18 21.67 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.493 1.786 . . . . 0.0 111.102 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.37 15.88 25.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.097 . . . . 0.0 109.382 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.62 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -88.06 5.73 39.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.61 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -108.19 94.56 5.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 111.054 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.731 ' CB ' HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -148.57 84.25 1.48 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.883 -179.952 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.6 p -40.06 124.91 1.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.941 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.007 HG22 HG21 ' A' ' 65' ' ' THR . 2.2 t -138.46 156.06 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.7 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -139.44 143.55 37.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.429 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 1.066 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.85 142.54 36.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.622 1.201 . . . . 0.0 109.331 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.6 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -58.01 158.8 6.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.37 -30.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 58' ' ' ASP . 1.7 t-20 -88.64 35.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.181 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.62 42.34 3.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.102 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 3.4 m -106.71 97.87 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.958 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 1.066 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.43 88.16 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.369 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.4 p -97.48 75.2 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.076 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 1.007 HG21 HG22 ' A' ' 55' ' ' VAL . 28.2 m -108.56 140.01 42.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.397 1.061 . . . . 0.0 110.502 179.907 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.0 p -100.76 137.6 38.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.069 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.78 HD12 ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -150.09 174.19 13.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.408 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.514 HG23 ' HG2' ' A' ' 70' ' ' ARG . 14.6 t -105.95 134.21 49.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.961 HG11 HD12 ' A' ' 13' ' ' LEU . 35.1 t -88.15 92.54 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.514 ' HG2' HG23 ' A' ' 68' ' ' THR . 3.1 mmt180 -87.81 95.4 10.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 110.335 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.512 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 2.6 ttm180 -64.72 -36.69 85.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -101.26 122.43 43.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.042 179.928 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.529 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 168.73 135.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 83' ' ' TRP . 26.0 tt0 -91.06 108.35 19.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.635 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -97.75 -144.9 17.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.424 1.078 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.496 ' HA ' ' O ' ' A' ' 81' ' ' THR . 9.2 m-85 -135.68 144.19 45.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.611 HD11 ' CB ' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -93.11 -176.81 4.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -76.0 -23.8 55.25 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.595 1.184 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.88 -34.36 77.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.29 11.98 7.8 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.32 1.013 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' A' ' 76' ' ' PHE . 1.1 m -89.05 157.61 18.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 110.525 179.855 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 5.6 ptp180 -94.58 74.71 3.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.635 ' O ' ' N ' ' A' ' 75' ' ' GLY . 8.6 t-105 -112.35 -84.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 108.097 179.908 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.713 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 56.47 85.95 0.03 OUTLIER Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.542 1.151 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.779 ' C ' HG23 ' A' ' 86' ' ' VAL . 90.0 m 50.93 -74.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.599 0.823 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.779 HG23 ' C ' ' A' ' 85' ' ' THR . 2.8 t 87.14 -43.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 89' ' ' THR . 7.9 t0 -155.1 82.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.528 ' SG ' HG21 ' A' ' 85' ' ' THR . 0.1 OUTLIER -68.39 63.12 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 108.261 -179.91 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 87' ' ' ASP . 12.8 t -92.73 -8.29 44.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.432 1.082 . . . . 0.0 110.392 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.7 m -149.84 -45.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.07 143.29 48.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.11 114.07 26.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 0.0 109.215 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.18 128.16 37.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 108.344 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.426 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 35.6 mt-30 -97.49 116.72 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.238 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.63 ' CG2' HG22 ' A' ' 110' ' ' ILE . 2.5 t -88.98 112.56 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.571 1.169 . . . . 0.0 109.24 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.529 ' C ' HD23 ' A' ' 97' ' ' LEU . . . -163.85 175.88 39.96 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.6 1.187 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.083 HD22 ' CG2' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -106.12 134.72 48.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 83.5 p -106.43 145.22 32.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.929 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.592 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -50.62 163.09 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.639 1.212 . . . . 0.0 109.403 179.942 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.63 -4.52 34.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.638 1.212 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.2 -21.03 19.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.908 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.4 47.74 2.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.426 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 16.5 m-80 -147.58 160.44 42.64 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.509 0.77 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.09 105.49 3.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 111.042 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 52.12 3.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.448 1.762 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.882 ' O ' H181 ' A' ' 130' ' ' NCZ . 0.7 OUTLIER -90.75 132.93 35.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.348 179.905 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 151.25 142.42 3.52 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 110' ' ' ILE . 2.4 p -105.14 128.29 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.382 0.695 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.64 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.388 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.732 HG21 HG21 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -114.29 162.79 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 4.1 t 98.01 -52.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.391 1.057 . . . . 0.0 109.948 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.531 ' O ' ' CB ' ' A' ' 11' ' ' SER . 6.2 t80 -27.71 141.91 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.204 -179.921 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.882 H181 ' O ' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.717 ' HB1' HG21 ' A' ' 6' ' ' THR . . . -147.76 135.54 10.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.211 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.01 173.9 13.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.472 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 0.5 OUTLIER 43.63 -168.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 110.4 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.716 ' HB2' HD21 ' A' ' 97' ' ' LEU . . . -65.37 116.23 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.907 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.717 HG21 ' HB1' ' A' ' 2' ' ' ALA . 0.9 OUTLIER -141.69 145.38 34.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 110.385 -179.935 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.775 HG13 HG21 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -88.16 122.72 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.929 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.779 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -37.46 -70.06 0.16 Allowed Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 124.483 1.114 . . . . 0.0 110.455 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.779 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.1 -152.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.601 1.843 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.513 ' O ' ' O ' ' A' ' 11' ' ' SER . 12.3 p -103.16 -32.02 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.963 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.65 ' HB3' HG11 ' A' ' 69' ' ' VAL . 0.5 OUTLIER 46.08 -179.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 109.947 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.67 -41.09 3.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -63.29 -20.12 65.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.428 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.544 ' HB3' ' OG1' ' A' ' 17' ' ' THR . 25.3 t -139.54 98.1 3.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 110.06 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.42 ' CG ' ' OG ' ' A' ' 72' ' ' SER . 4.3 p30 -54.92 102.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 109.326 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.467 ' HA2' ' CD ' ' A' ' 70' ' ' ARG . . . 122.44 21.19 2.79 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.585 1.178 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.544 ' OG1' ' HB3' ' A' ' 14' ' ' SER . 88.3 m -80.9 108.26 14.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.574 0.808 . . . . 0.0 110.414 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.78 118.65 22.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 109.286 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.775 HG21 HG13 ' A' ' 7' ' ' VAL . 1.3 m -138.72 -178.14 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.431 1.082 . . . . 0.0 109.215 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -113.71 128.83 56.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.344 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.555 HG22 HG23 ' A' ' 7' ' ' VAL . 46.5 t -103.79 100.2 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -89.21 119.64 29.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.472 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -110.31 81.4 0.29 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.47 1.106 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.16 123.85 28.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.436 0.727 . . . . 0.0 109.254 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 50.53 45.19 46.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.4 1.062 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.825 HD12 HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -87.88 -87.55 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.595 ' NE2' ' CD2' ' A' ' 32' ' ' TYR . 33.6 mm-40 -83.02 8.33 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 75.86 -10.48 1.27 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.445 1.09 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.682 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 129.56 -2.6 6.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.569 HG22 ' H ' ' A' ' 31' ' ' ALA . 2.1 m -57.8 -155.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.627 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -135.49 108.93 7.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.61 ' HB2' HD12 ' A' ' 97' ' ' LEU . 4.8 m-85 -120.46 164.1 16.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.558 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -88.87 112.97 23.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.416 1.073 . . . . 0.0 109.252 -179.916 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.904 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -79.19 140.34 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.424 1.078 . . . . 0.0 109.255 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.601 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 164.72 161.63 14.11 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.556 1.16 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.602 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.26 102.18 14.45 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.571 0.806 . . . . 0.0 110.37 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.573 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 4.7 t -108.15 154.61 21.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 108.357 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.604 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -178.62 168.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.214 -179.896 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.454 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 48.4 p90 -77.21 111.13 12.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 107.964 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.744 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -97.28 -47.58 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.604 ' OD1' ' CH2' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -87.53 -172.11 3.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.214 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.5 m -55.25 89.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 110.409 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 56.0 20.83 28.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.156 . . . . 0.0 111.079 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 42' ' ' THR . 50.7 t -96.62 115.53 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.284 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.472 ' CD2' H173 ' A' ' 130' ' ' NCZ . 0.5 OUTLIER -67.0 107.04 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.382 179.938 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.549 ' HB2' HD13 ' A' ' 77' ' ' LEU . . . -120.47 134.59 55.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.216 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.584 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 19.5 m -95.98 157.65 15.8 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.428 1.08 . . . . 0.0 108.248 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.509 ' CB ' ' NE2' ' A' ' 36' ' ' GLN . 1.3 m-80 -83.86 167.81 25.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.178 -179.873 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.653 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.0 Cg_endo -75.0 -16.15 20.35 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.443 1.76 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.37 12.17 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.358 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.621 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -93.97 15.05 17.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.193 -179.889 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.653 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.9 m-85 -108.63 93.98 4.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.612 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -149.46 81.86 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.982 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.4 p -55.43 124.61 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.752 HG21 ' HB ' ' A' ' 65' ' ' THR . 4.2 p -148.68 158.75 6.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.368 1.043 . . . . 0.0 109.363 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.627 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -123.95 161.57 25.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 179.89 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.798 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -103.87 148.89 25.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.634 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.9 OUTLIER -63.83 161.85 14.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.347 1.029 . . . . 0.0 109.321 179.941 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.92 -35.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -88.56 37.23 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.634 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.35 41.01 2.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 57.3 m -107.34 96.32 6.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.798 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -104.62 90.78 3.61 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.364 1.04 . . . . 0.0 109.209 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.4 p -95.37 83.78 3.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.427 1.079 . . . . 0.0 110.005 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.878 HG21 HG21 ' A' ' 34' ' ' VAL . 14.7 t -108.46 133.93 51.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.639 1.212 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.9 p -101.01 139.51 36.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.948 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.542 HD11 ' CB ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -156.24 176.95 12.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.21 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 t -105.07 133.62 49.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.65 HG11 ' HB3' ' A' ' 11' ' ' SER . 80.3 t -90.07 85.75 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.229 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.467 ' CD ' ' HA2' ' A' ' 16' ' ' GLY . 11.9 mmt180 -93.79 78.57 4.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 110.218 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -48.65 -37.85 19.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.411 1.069 . . . . 0.0 110.345 179.797 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 78.5 p -86.33 130.12 34.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.085 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.536 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 162.14 171.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.641 1.213 . . . . 0.0 111.0 -179.931 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.604 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 7.8 tt0 -80.79 114.16 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.07 168.16 38.67 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.604 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 4.6 m-85 -141.05 129.95 23.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 0.715 . . . . 0.0 110.948 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.024 HD23 HG23 ' A' ' 81' ' ' THR . 0.9 OUTLIER -61.19 156.74 17.68 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.91 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.416 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 3.2 t80 -82.48 -20.11 37.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.621 1.201 . . . . 0.0 110.966 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.34 -51.89 66.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.54 -27.05 0.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 1.024 HG23 HD23 ' A' ' 77' ' ' LEU . 2.3 t -84.6 161.37 20.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 0.801 . . . . 0.0 110.428 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -103.94 150.7 23.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 110.222 -179.917 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.744 ' CD1' HG13 ' A' ' 40' ' ' VAL . 56.9 t-105 -106.14 -87.22 0.47 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.506 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 134.69 -83.64 0.28 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.82 HG22 ' H ' ' A' ' 87' ' ' ASP . 2.4 m 68.14 -60.53 0.41 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.768 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 85' ' ' THR . 16.3 t 78.18 -18.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.82 ' H ' HG22 ' A' ' 85' ' ' THR . 0.5 OUTLIER -139.73 99.7 3.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 93' ' ' CYS . 43.0 t -91.14 40.4 1.03 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.511 1.132 . . . . 0.0 108.199 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.3 t -88.59 -12.87 41.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.375 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.8 m -89.13 -50.06 6.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.458 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.454 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -91.34 135.55 33.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.9 110.2 3.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.604 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -89.06 124.21 34.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 108.35 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 4.2 pt20 -104.79 121.96 44.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.602 HG22 ' HB3' ' A' ' 36' ' ' GLN . 1.5 t -89.18 113.06 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -162.38 175.18 38.85 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.411 1.069 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.904 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -106.8 125.91 51.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.378 0.693 . . . . 0.0 109.262 -179.936 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.508 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 29.0 t -104.35 168.33 9.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.163 . . . . 0.0 109.951 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.536 ' OD1' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -100.08 161.35 13.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.399 179.921 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.05 20.28 4.39 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.658 1.224 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.84 -36.83 6.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.379 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.81 53.4 0.81 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.592 1.183 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 105' ' ' PRO . 7.2 m120 -115.12 136.87 52.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.368 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -32.3 93.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.598 1.186 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.554 ' HG2' ' C1 ' ' A' ' 130' ' ' NCZ . 18.2 Cg_endo -74.98 133.03 16.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.09 147.69 23.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.283 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -157.62 165.0 33.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.072 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.717 HG13 HD13 ' A' ' 110' ' ' ILE . 7.5 p -95.99 127.01 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 109.419 179.847 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.42 91.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.597 1.185 . . . . 0.0 109.213 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.717 HD13 HG13 ' A' ' 108' ' ' VAL . 0.8 OUTLIER -75.01 154.42 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.373 179.886 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.496 ' O ' ' O ' ' A' ' 11' ' ' SER . 0.4 OUTLIER 165.02 -77.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.47 ' CG ' ' N ' ' A' ' 113' ' ' ASN . 1.9 t80 -164.11 162.58 23.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.47 ' N ' ' CG ' ' A' ' 112' ' ' PHE . 1.1 t-20 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.584 ' C9 ' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.447 ' HB1' HG21 ' A' ' 6' ' ' THR . . . -130.32 149.19 72.64 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.675 1.234 . . . . 0.0 109.245 -179.88 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.402 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 18.1 Cg_endo -75.02 165.66 30.83 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.534 1.808 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.456 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.0 OUTLIER 43.84 -166.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 110.368 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.647 ' CB ' HD11 ' A' ' 97' ' ' LEU . . . -70.46 119.64 14.92 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.447 HG21 ' HB1' ' A' ' 2' ' ' ALA . 0.9 OUTLIER -140.45 145.83 37.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 -179.853 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.829 HG11 HD12 ' A' ' 110' ' ' ILE . 3.2 t -88.88 112.01 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 109.336 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.691 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -49.48 -66.3 0.64 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 -179.933 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.691 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.99 59.72 5.26 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.552 1.817 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 111' ' ' SER . 11.1 p -89.53 28.32 1.31 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.379 1.049 . . . . 0.0 109.973 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 12' ' ' GLY . 26.2 t -114.63 133.6 55.71 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.59 1.181 . . . . 0.0 109.925 -179.874 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 11' ' ' SER . . . 32.78 53.82 0.49 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.663 HD13 HG12 ' A' ' 69' ' ' VAL . 0.9 OUTLIER -44.74 161.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 109.257 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.536 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -128.87 147.82 50.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 110.102 179.933 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.441 ' OD2' ' NH2' ' A' ' 71' ' ' ARG . 5.0 m-20 -50.79 89.72 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.632 1.208 . . . . 0.0 109.228 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.622 ' HA2' HG22 ' A' ' 68' ' ' THR . . . 91.84 50.71 2.62 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.597 HG22 ' CG1' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -90.93 125.66 35.83 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.574 0.809 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.428 ' H ' HG23 ' A' ' 18' ' ' VAL . 1.5 t -73.23 104.2 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.825 ' HB ' HG13 ' A' ' 7' ' ' VAL . 3.8 m -111.93 169.06 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.605 1.191 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.26 115.9 25.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.515 ' CG1' ' HB1' ' A' ' 5' ' ' ALA . 27.3 t -89.87 94.28 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -88.66 117.83 27.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.322 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.456 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -99.81 113.99 4.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.448 1.093 . . . . 0.0 111.066 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 3' ' ' PRO . . . -102.88 103.4 13.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 0.816 . . . . 0.0 109.237 -179.895 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.3 34.23 89.36 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.888 HD21 HD21 ' A' ' 97' ' ' LEU . 7.7 tp -77.29 -110.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 0.786 . . . . 0.0 109.266 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.823 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -45.05 -24.61 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.472 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 63.88 24.53 13.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.907 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 119.1 -10.36 11.89 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.617 1.198 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.464 ' CA ' ' HB3' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -84.14 -161.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 0.804 . . . . 0.0 110.3 -179.901 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.594 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -148.34 153.31 38.44 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.604 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 12.9 m-85 -150.74 -169.99 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.497 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -108.46 107.22 17.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.156 -179.955 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.575 HG23 HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -76.04 141.25 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.226 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.613 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 175.36 156.05 13.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.922 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.548 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.13 95.03 9.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.315 -179.914 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.655 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 4.6 t -105.43 156.9 17.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 108.266 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 175.1 163.84 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.37 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.6 p90 -71.85 116.39 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 108.079 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.458 HG12 ' HB3' ' A' ' 46' ' ' ALA . 8.5 p -100.31 -49.1 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.525 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -82.4 -159.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.919 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.4 m -79.01 88.2 4.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.39 23.02 75.07 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.793 ' CG1' HD22 ' A' ' 77' ' ' LEU . 4.0 t -106.21 111.3 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.784 . . . . 0.0 109.276 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.779 HD22 H173 ' A' ' 130' ' ' NCZ . 3.1 mt -71.87 109.77 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.835 ' HB2' HD23 ' A' ' 77' ' ' LEU . . . -124.65 144.92 49.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.598 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 3.5 m -110.51 151.59 27.39 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.443 1.089 . . . . 0.0 108.307 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.508 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -77.49 171.22 13.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.617 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.9 -12.46 21.74 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.554 1.818 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.6 16.18 25.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.613 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.7 t70 -87.36 6.66 32.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.617 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -108.57 94.89 5.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 -179.946 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.713 ' CB ' HD21 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -150.97 84.14 1.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 p -40.69 131.07 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 0.0 109.959 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.575 HG11 HG23 ' A' ' 34' ' ' VAL . 12.1 p -127.04 162.22 32.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.78 134.58 22.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 1.032 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.39 135.65 47.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.339 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -60.44 161.41 7.47 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.615 1.197 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.22 -35.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -88.19 37.03 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.19 36.94 2.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -94.97 92.72 7.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 0.796 . . . . 0.0 109.954 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 1.032 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.88 78.3 1.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.0 p -94.91 75.9 3.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.613 1.196 . . . . 0.0 110.095 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.471 ' CB ' HG23 ' A' ' 55' ' ' VAL . 1.8 m -109.24 131.0 55.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.48 ' O ' HD12 ' A' ' 67' ' ' LEU . 39.9 p -95.3 142.88 27.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.388 1.055 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.713 HD21 ' CB ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -146.32 179.92 7.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.622 HG22 ' HA2' ' A' ' 16' ' ' GLY . 34.2 m -104.63 129.24 52.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.328 1.018 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.663 HG12 HD13 ' A' ' 13' ' ' LEU . 9.9 t -88.1 90.38 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.356 1.035 . . . . 0.0 109.392 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.45 ' HD2' ' CE2' ' A' ' 73' ' ' PHE . 10.2 mmt180 -89.3 118.38 28.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.585 ' HB2' HD11 ' A' ' 13' ' ' LEU . 9.9 ttp180 -87.25 -32.59 19.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 83.2 p -103.42 121.0 41.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.896 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.472 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 165.49 128.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.891 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.814 ' HA ' HG23 ' A' ' 86' ' ' VAL . 0.8 OUTLIER -74.76 115.09 13.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.626 1.204 . . . . 0.0 110.244 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.714 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -100.38 -153.49 26.95 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.492 ' CZ ' ' HG3' ' A' ' 82' ' ' ARG . 70.3 m-85 -127.5 146.27 50.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.353 0.678 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.89 HD12 HG23 ' A' ' 81' ' ' THR . 5.2 mt -88.64 179.93 6.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.608 1.192 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -71.76 -22.63 61.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.77 -62.39 1.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.42 -24.72 0.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.89 HG23 HD12 ' A' ' 77' ' ' LEU . 2.1 t -52.01 155.81 1.74 Allowed 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.417 0.716 . . . . 0.0 110.424 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.492 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 2.0 ttt180 -95.42 78.6 3.41 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.502 1.126 . . . . 0.0 110.363 179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.714 ' O ' ' N ' ' A' ' 75' ' ' GLY . 4.0 t-105 -114.06 -84.81 0.6 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.655 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 51.19 144.21 0.0 OUTLIER Glycine 0 CA--C 1.532 1.126 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.655 ' C ' ' O ' ' A' ' 84' ' ' GLY . 1.3 m 12.25 -83.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.592 0.819 . . . . 0.0 110.431 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.814 HG23 ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER 81.74 -50.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.193 . . . . 0.0 109.31 -179.926 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 89' ' ' THR . 8.4 t0 -151.49 80.79 1.29 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.366 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -69.66 60.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 108.39 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 87' ' ' ASP . 7.5 t -94.57 -5.99 44.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.5 m -150.98 -44.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.52 138.33 58.35 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.418 1.073 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.36 117.91 24.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.979 ' O ' HG22 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -90.93 129.06 36.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.392 1.057 . . . . 0.0 108.245 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.501 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 25.2 mt-30 -101.17 115.68 31.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.916 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.4 t -87.61 105.71 15.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.372 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.491 ' C ' H183 ' A' ' 130' ' ' NCZ . . . -154.29 176.02 32.28 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.888 HD21 HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -106.22 147.53 28.98 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.499 0.764 . . . . 0.0 109.254 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.14 143.13 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.13 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.576 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -81.82 159.66 23.71 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 0.0 109.202 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.85 -12.38 59.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.381 1.051 . . . . 0.0 109.198 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.48 -13.15 32.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.96 47.03 40.79 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.454 1.097 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 105' ' ' PRO . 85.9 m-20 -104.92 147.17 28.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 0.743 . . . . 0.0 109.198 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -35.58 96.63 0.01 OUTLIER Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 103' ' ' ASN . 18.0 Cg_endo -75.1 150.13 37.29 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.341 1.706 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.3 107.16 18.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -103.22 151.25 17.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.916 HG12 ' O ' ' A' ' 95' ' ' VAL . 9.0 p -101.38 116.67 45.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.78 92.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.979 HG22 ' O ' ' A' ' 93' ' ' CYS . 3.8 tt -71.34 148.38 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 10' ' ' SER . 9.3 m -64.92 69.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 39.0 p90 -40.34 125.44 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.322 -179.971 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.779 H173 HD22 ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.617 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.691 ' O ' HG21 ' A' ' 6' ' ' THR . . . 77.84 70.98 0.19 Allowed Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.452 ' C ' HG23 ' A' ' 4' ' ' THR . 18.4 Cg_endo -74.85 -179.15 4.66 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.473 1.775 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.739 ' HB ' HD23 ' A' ' 26' ' ' LEU . 2.0 p 57.47 -166.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.55 1.157 . . . . 0.0 110.34 179.829 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 97' ' ' LEU . . . -53.06 120.26 5.68 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.605 1.191 . . . . 0.0 109.337 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.691 HG21 ' O ' ' A' ' 2' ' ' ALA . 1.0 OUTLIER -143.89 144.28 31.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 0.0 110.412 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.915 HG23 HG22 ' A' ' 21' ' ' VAL . 2.9 p -107.58 137.17 40.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.597 1.185 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.575 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -32.08 -60.17 0.35 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 110.331 -179.875 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.151 ' CD ' HG21 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.01 148.64 35.51 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 p -128.95 -53.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 110.032 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.471 ' HB2' ' N ' ' A' ' 113' ' ' ASN . 13.2 t -125.36 163.8 21.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.18 35.16 68.92 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.546 1.154 . . . . 0.0 111.071 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.807 HD23 HG23 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -66.75 173.36 3.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.748 . . . . 0.0 109.374 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.599 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -124.65 139.06 54.21 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.536 1.148 . . . . 0.0 109.93 -179.865 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.36 78.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.593 1.183 . . . . 0.0 109.43 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 124.64 38.46 0.51 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.3 m -88.26 103.36 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 0.711 . . . . 0.0 110.375 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.6 p -89.73 129.56 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.151 HG21 ' CD ' ' A' ' 9' ' ' PRO . 12.2 m -152.8 -159.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -112.15 140.14 47.09 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.381 1.051 . . . . 0.0 109.348 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.915 HG22 HG23 ' A' ' 7' ' ' VAL . 25.6 t -111.93 96.33 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.217 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.16 123.74 34.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.433 ' CA ' ' HA ' ' A' ' 5' ' ' ALA . . . -120.02 92.78 0.53 Allowed Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.39 111.98 23.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 0.738 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.99 12.49 20.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.739 HD23 ' HB ' ' A' ' 4' ' ' THR . 0.2 OUTLIER -98.17 -143.45 0.31 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 0.0 109.252 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.849 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.6 mm100 -40.84 89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -61.32 82.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 77.05 11.48 85.53 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.656 1.222 . . . . 0.0 111.101 -179.891 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.516 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -90.47 -175.65 4.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.611 0.83 . . . . 0.0 110.373 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.608 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -135.8 107.84 7.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 0.0 109.372 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.625 ' CE2' ' CD ' ' A' ' 27' ' ' GLN . 3.8 m-30 -117.39 -169.26 1.63 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -121.35 118.53 29.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.621 HG21 ' CG2' ' A' ' 65' ' ' THR . 1.9 t -78.61 140.12 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.629 ' O ' H182 ' A' ' 130' ' ' NCZ . . . 176.32 156.67 15.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.727 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -93.79 104.41 16.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 0.787 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.606 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 1.6 t -106.34 147.48 29.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.413 1.071 . . . . 0.0 108.266 -179.905 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.842 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -168.04 156.76 9.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.7 p-90 -68.79 104.95 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.951 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -88.32 -45.31 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.467 ' CB ' ' HB ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -90.12 -162.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.394 1.059 . . . . 0.0 109.401 179.917 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -66.46 79.83 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.56 24.58 75.22 Favored Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.404 1.065 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 86.3 t -101.56 106.81 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.631 0.842 . . . . 0.0 109.283 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.578 HD22 H173 ' A' ' 130' ' ' NCZ . 2.9 mt -58.4 96.73 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.951 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -104.1 135.85 44.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.165 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.635 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 4.0 m -108.54 149.37 28.94 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 108.193 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.564 ' OD1' ' CG ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -85.63 174.3 5.84 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.558 1.161 . . . . 0.0 109.225 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.632 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.11 -14.23 20.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.26 8.66 44.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.598 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -89.26 11.53 18.63 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.632 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.7 m-85 -106.64 96.63 6.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.497 ' OG ' HD23 ' A' ' 67' ' ' LEU . 33.1 t -138.83 70.71 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.008 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.93 118.28 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.819 HG21 ' HB ' ' A' ' 65' ' ' THR . 1.2 p -152.73 165.13 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.608 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -123.89 154.37 39.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.99 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.56 148.49 28.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -64.18 159.59 20.26 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.508 1.13 . . . . 0.0 109.185 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.04 -30.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.244 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.4 t-20 -89.23 35.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.596 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.14 42.76 4.3 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD2' ' A' ' 58' ' ' ASP . 14.9 m -109.31 97.81 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.353 0.678 . . . . 0.0 109.993 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.99 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.24 102.23 11.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.367 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.5 p -104.53 81.21 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.019 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.819 ' HB ' HG21 ' A' ' 55' ' ' VAL . 7.1 t -108.29 135.05 50.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 79.3 p -91.53 142.88 27.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.944 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.497 HD23 ' OG ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -152.08 177.1 10.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.886 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 42.1 m -106.9 124.98 50.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 110.464 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.474 HG13 HG21 ' A' ' 110' ' ' ILE . 82.5 t -87.83 85.82 2.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.126 . . . . 0.0 109.236 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.691 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 57.8 mtt-85 -100.32 75.75 1.82 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.498 1.124 . . . . 0.0 110.169 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' ARG . 7.3 ttm180 -36.17 -31.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.89 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 2.9 m -93.11 117.4 30.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.033 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.691 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -165.93 165.7 17.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 111.049 -179.92 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.55 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 2.0 tp10 -90.97 90.56 7.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -54.07 162.11 3.71 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.496 1.123 . . . . 0.0 111.069 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.663 ' CD2' ' CB ' ' A' ' 82' ' ' ARG . 60.2 m-85 -141.72 131.15 23.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.623 0.837 . . . . 0.0 111.023 -179.828 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.046 HD13 HG23 ' A' ' 81' ' ' THR . 3.6 mp -66.33 142.15 57.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.375 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -65.29 -22.98 66.91 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -55.5 33.24 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 179.902 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.43 -28.75 0.22 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.494 1.121 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 1.046 HG23 HD13 ' A' ' 77' ' ' LEU . 3.5 t -81.94 161.71 22.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 110.355 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.663 ' CB ' ' CD2' ' A' ' 76' ' ' PHE . 22.1 ptt180 -104.75 145.01 30.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.411 179.903 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.601 ' CD1' HG13 ' A' ' 40' ' ' VAL . 32.3 t-105 -106.6 -86.33 0.49 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.622 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 140.57 -98.85 0.24 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.61 1.194 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.622 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 61.2 m 84.81 -49.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.612 0.831 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.568 HG12 ' N ' ' A' ' 87' ' ' ASP . 96.0 t 71.22 -103.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.568 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -61.59 105.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -89.03 79.07 7.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 108.353 179.939 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.7 t -106.85 -32.43 7.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 110.433 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.3 m -89.11 -58.44 2.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -70.87 103.24 2.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.424 1.078 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.03 102.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.405 1.066 . . . . 0.0 109.267 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.842 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 5.0 m -83.92 126.78 33.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 108.355 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.544 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 27.6 mt-30 -105.56 117.18 33.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.727 HG22 ' HB3' ' A' ' 36' ' ' GLN . 1.5 t -87.0 119.84 35.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.426 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -164.35 174.4 40.41 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.586 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -96.63 122.33 39.44 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.56 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 97.9 p -101.46 167.32 10.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.605 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -76.38 160.15 29.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.84 1.69 53.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.369 1.043 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.53 -73.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.22 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.38 40.43 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -128.03 148.43 50.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.77 . . . . 0.0 109.356 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.07 108.42 1.54 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.403 ' CD ' ' HA ' ' A' ' 98' ' ' SER . 18.4 Cg_endo -74.97 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.791 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.98 143.36 35.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -134.71 171.91 22.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.623 ' O ' HG13 ' A' ' 108' ' ' VAL . 3.4 p -95.0 105.1 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.558 0.799 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.02 81.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.245 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.807 HG23 HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -75.85 145.15 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.588 1.18 . . . . 0.0 109.246 -179.93 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.68 ' H ' HD13 ' A' ' 110' ' ' ILE . 2.4 p 152.56 -75.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.044 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.463 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 34.1 p90 -158.81 168.17 27.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.068 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.471 ' N ' ' HB2' ' A' ' 11' ' ' SER . 48.8 t-20 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.635 ' C10' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.601 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -140.26 55.11 5.85 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.601 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.6 Cg_endo -74.96 54.27 3.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.513 1.796 . . . . 0.0 111.102 179.865 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.457 ' HB ' HD22 ' A' ' 26' ' ' LEU . 29.2 p 41.83 -124.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.37 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.604 ' N ' HD23 ' A' ' 26' ' ' LEU . . . -90.45 119.52 30.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.219 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.828 ' C ' HG13 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -146.08 144.7 30.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.6 1.188 . . . . 0.0 110.366 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.946 HG12 ' CG2' ' A' ' 19' ' ' VAL . 1.4 t -76.7 142.42 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.463 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.34 -54.0 1.2 Allowed Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.611 1.194 . . . . 0.0 110.489 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.928 ' CD ' HG21 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.08 -164.25 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.485 ' O ' HD11 ' A' ' 13' ' ' LEU . 1.9 t -151.34 -61.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.984 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.547 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 43.7 t -133.78 162.15 32.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.621 1.2 . . . . 0.0 110.099 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.14 25.38 59.69 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 111.083 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.541 HD13 HG13 ' A' ' 110' ' ' ILE . 2.4 mp -77.25 175.65 9.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.43 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.4 t -132.56 159.39 39.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.052 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 7.1 t70 -65.94 60.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.593 1.183 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 158.59 32.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.1 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' VAL . 16.0 m -91.51 102.32 14.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 110.434 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 7.5 p -102.89 129.48 54.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.946 ' CG2' HG12 ' A' ' 7' ' ' VAL . 35.4 m -151.82 -156.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 3.2 pttm -114.98 133.65 55.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.908 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.828 HG13 ' C ' ' A' ' 6' ' ' THR . 22.4 t -107.09 114.08 45.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.84 135.56 33.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.379 1.049 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.541 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -107.96 79.75 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 2' ' ' ALA . . . -76.18 92.82 3.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 0.75 . . . . 0.0 109.178 -179.907 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.36 34.14 7.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.459 1.099 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.676 HD11 HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -85.39 -144.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.99 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.6 mp0 -66.37 79.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.303 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.412 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . . . -59.37 91.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.05 -18.74 56.67 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.397 1.061 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.515 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.8 -179.53 5.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 0.784 . . . . 0.0 110.353 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.51 ' HB1' ' OG1' ' A' ' 56' ' ' THR . . . -162.69 120.29 2.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.354 1.034 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE2' ' CD ' ' A' ' 27' ' ' GLN . 17.3 m-30 -118.32 -146.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.453 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 12.0 t70 -122.03 120.6 34.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.328 1.017 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.657 HG23 ' HB3' ' A' ' 97' ' ' LEU . 1.2 t -90.14 146.5 6.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.148 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.562 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 173.03 160.65 22.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.09 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.538 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 1.9 pt20 -93.18 100.56 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 0.809 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.531 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 3.3 t -106.69 148.92 27.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 108.338 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -176.86 164.54 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.535 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 2.1 m95 -68.63 118.29 11.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 108.038 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.904 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -105.38 -42.92 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.635 ' HB2' HD11 ' A' ' 77' ' ' LEU . 5.9 t0 -79.91 -156.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.612 1.195 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -90.77 72.13 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.405 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.69 5.3 61.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.656 HG12 HD22 ' A' ' 77' ' ' LEU . 2.3 t -101.22 124.07 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 0.724 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -72.26 119.36 16.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.049 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . . . -124.79 132.21 53.37 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.592 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 56.3 m -95.86 156.95 16.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 108.261 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.586 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -84.33 162.84 50.02 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.912 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 73' ' ' PHE . 18.5 Cg_endo -75.04 -14.35 21.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.09 13.41 30.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.617 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -88.92 13.33 13.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.619 1.199 . . . . 0.0 109.269 -179.967 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -106.78 93.22 4.45 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.502 ' CB ' ' HG ' ' A' ' 67' ' ' LEU . 13.7 t -150.44 88.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.957 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' SER . 85.1 p -36.55 124.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 110.087 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.642 HG21 HG21 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -111.87 140.06 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.825 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.51 ' OG1' ' HB1' ' A' ' 31' ' ' ALA . 5.6 m -132.95 125.9 30.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.99 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -106.74 123.13 47.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.158 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -56.64 157.16 5.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.908 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.97 -26.2 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.612 1.195 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.443 ' N ' ' C ' ' A' ' 58' ' ' ASP . 43.2 t30 -87.92 32.14 0.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 0.0 109.38 179.86 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.52 43.76 6.36 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.411 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 19.9 m -114.57 98.61 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 0.768 . . . . 0.0 109.953 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.973 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.94 85.76 2.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.67 1.231 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.6 p -93.28 77.22 4.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.068 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.585 ' CB ' HG23 ' A' ' 55' ' ' VAL . 26.3 m -107.96 131.31 54.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 110.427 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 26.8 p -101.04 148.55 24.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.934 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.884 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -160.64 176.5 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.178 . . . . 0.0 109.351 179.925 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.884 ' H ' HD13 ' A' ' 67' ' ' LEU . 7.8 t -98.09 124.96 42.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.867 HG11 HG12 ' A' ' 110' ' ' ILE . 6.6 t -88.35 88.53 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.92 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -102.38 131.48 48.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.55 ' HD3' ' CG ' ' A' ' 112' ' ' PHE . 27.1 ttp85 -92.52 -41.22 10.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.24 -179.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.532 ' O ' ' CG ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -80.71 131.53 35.46 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.2 OUTLIER 161.62 170.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.536 1.147 . . . . 0.0 110.915 180.0 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -83.93 131.54 34.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.16 157.05 38.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 111.082 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 6.0 m-85 -123.12 97.44 5.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.049 ' CD2' ' HB2' ' A' ' 46' ' ' ALA . 60.3 mt -79.04 173.42 12.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 109.226 -179.909 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -89.13 -33.43 17.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 111.057 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.8 -21.7 17.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.338 1.024 . . . . 0.0 109.22 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.564 ' O ' ' C ' ' A' ' 81' ' ' THR . . . -147.87 59.01 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.898 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.645 HG23 ' H ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -23.86 -92.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.622 0.836 . . . . 0.0 110.394 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.645 ' H ' HG23 ' A' ' 81' ' ' THR . 4.7 ttt180 -52.22 81.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.649 ' CD1' HG13 ' A' ' 40' ' ' VAL . 24.6 t-105 -83.56 -87.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 167.37 -129.86 1.99 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.548 1.155 . . . . 0.0 111.065 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.831 HG21 HG22 ' A' ' 40' ' ' VAL . 2.2 m 87.64 -76.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.614 0.832 . . . . 0.0 110.352 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.414 ' O ' ' HB2' ' A' ' 72' ' ' SER . 5.8 t 73.54 -7.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 85' ' ' THR . 1.1 t70 -145.53 105.27 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.428 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 39.6 t -91.0 41.46 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 108.301 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.469 ' CA ' ' HD2' ' A' ' 71' ' ' ARG . 9.9 t -86.22 -17.51 34.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.247 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.8 m -87.98 -52.85 5.04 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.563 1.164 . . . . 0.0 110.353 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.75 149.64 21.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 109.427 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.07 117.27 22.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.367 -179.915 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.405 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -84.04 122.97 29.52 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.461 1.101 . . . . 0.0 108.238 -179.941 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.538 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 8.6 mt-30 -100.81 117.85 35.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.233 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.781 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.3 t -87.15 109.84 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.379 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.467 ' C ' H183 ' A' ' 130' ' ' NCZ . . . -161.56 -178.03 35.14 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.415 1.072 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.739 ' O ' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -106.25 149.01 27.28 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.474 ' OG ' ' C5 ' ' A' ' 130' ' ' NCZ . 8.1 m -105.18 130.79 53.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 103' ' ' ASN . 0.1 OUTLIER -66.0 161.32 21.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.197 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.58 0.84 55.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.48 ' HB3' ' ND2' ' A' ' 103' ' ' ASN . . . -104.31 -14.16 15.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.323 179.874 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.6 56.6 4.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.074 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.48 ' ND2' ' HB3' ' A' ' 101' ' ' ALA . 75.5 m-80 -117.88 144.71 45.19 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.641 0.848 . . . . 0.0 109.235 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.21 96.54 0.01 OUTLIER Glycine 0 CA--C 1.532 1.129 0 O-C-N 124.579 1.174 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.537 ' HG2' ' C2 ' ' A' ' 130' ' ' NCZ . 18.2 Cg_endo -75.03 153.62 41.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.66 1.874 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.79 108.49 19.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 0.0 110.342 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -111.07 155.12 16.3 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.781 HG12 ' O ' ' A' ' 95' ' ' VAL . 12.0 p -103.13 119.26 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 124.454 0.737 . . . . 0.0 109.441 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.28 90.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.838 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.867 HG12 HG11 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -71.06 116.74 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.348 179.932 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.547 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -77.9 65.29 3.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 110.111 179.943 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.55 ' CG ' ' HD3' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -48.21 179.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 111.051 -179.903 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 40.9 t30 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.967 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.592 ' C10' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.498 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -143.57 115.04 5.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.437 ' O ' HG23 ' A' ' 6' ' ' THR . 18.0 Cg_endo -75.04 92.22 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.547 1.814 . . . . 0.0 110.95 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.429 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.5 p 52.62 -173.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.645 1.215 . . . . 0.0 110.387 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.432 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -53.38 115.52 1.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -132.78 146.05 51.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.474 179.965 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.512 HG13 ' HB ' ' A' ' 19' ' ' VAL . 2.3 t -98.19 113.54 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.369 1.043 . . . . 0.0 109.377 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.763 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -51.42 -69.75 0.29 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.389 -179.932 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.763 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.97 55.72 4.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.591 1.837 . . . . 0.0 111.072 179.936 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.4 ' HB3' HG12 ' A' ' 7' ' ' VAL . 5.7 p -87.85 16.58 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.055 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 112' ' ' PHE . 22.3 p -114.11 137.4 51.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 13' ' ' LEU . . . 47.66 45.14 23.92 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.648 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -43.82 169.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 0.783 . . . . 0.0 109.238 -179.928 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -141.79 144.8 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.945 179.988 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -42.67 93.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 179.903 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 79.18 56.56 3.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.069 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.687 HG22 ' CG1' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -90.33 119.95 31.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 110.447 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' ' 18' ' ' VAL . 1.3 t -73.48 100.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.687 ' CG1' HG22 ' A' ' 17' ' ' THR . 5.2 m -106.97 177.63 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.087 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -117.16 115.69 25.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.407 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.5 t -89.53 91.43 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -88.71 109.36 20.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.382 1.051 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -110.06 132.88 11.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.565 1.165 . . . . 0.0 111.047 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -136.8 104.47 5.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 0.794 . . . . 0.0 109.392 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 92.41 32.83 7.94 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.515 1.135 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' ALA . 21.1 tp -99.98 -104.18 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.631 0.842 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.714 ' NE2' HD13 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -42.31 -23.94 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.523 1.14 . . . . 0.0 110.247 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . 67.53 21.28 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 106.45 -0.12 37.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 0.0 111.029 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -162.7 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 0.726 . . . . 0.0 110.289 -179.865 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.673 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -135.19 145.08 47.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.621 ' CE1' ' HA ' ' A' ' 99' ' ' ASP . 6.8 m-85 -152.43 -165.79 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -118.69 121.66 40.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.759 HG12 ' HB3' ' A' ' 53' ' ' SER . 0.3 OUTLIER -85.6 141.52 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.674 1.234 . . . . 0.0 109.283 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.74 ' O ' H182 ' A' ' 130' ' ' NCZ . . . -174.07 153.04 15.92 Favored Glycine 0 CA--C 1.532 1.139 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.608 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -91.31 71.7 6.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.683 0.873 . . . . 0.0 110.297 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.617 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 11.6 t -82.06 151.83 26.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.398 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -177.83 161.47 1.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 0.0 109.225 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 46.3 p-90 -70.23 110.62 5.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.487 1.117 . . . . 0.0 108.0 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.649 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -100.34 -47.91 11.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.488 1.117 . . . . 0.0 109.402 179.919 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.648 ' OD2' HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -80.77 -166.67 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.964 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -61.9 77.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 67.2 25.29 73.51 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 49.3 t -102.1 114.18 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.457 0.739 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.549 HD12 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -63.11 97.21 0.11 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.96 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -106.94 134.69 49.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.604 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 2.1 m -108.42 147.42 31.64 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.511 1.132 . . . . 0.0 108.251 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.638 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -79.67 163.46 58.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.613 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.5 Cg_endo -75.04 -14.55 21.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.3 7.9 45.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.373 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.541 ' CB ' ' HA3' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -88.65 15.06 8.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.912 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 14.4 m-85 -108.01 90.69 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.759 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -138.76 82.6 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.1 p -43.77 126.52 4.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 110.068 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.017 ' HB ' HD21 ' A' ' 97' ' ' LEU . 2.0 t -143.64 163.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.391 1.057 . . . . 0.0 109.359 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.673 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -140.3 151.55 45.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.449 179.973 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.918 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -106.82 147.77 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.073 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -62.67 159.82 15.39 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.45 -32.77 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.4 t30 -89.11 35.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.204 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.67 36.53 1.68 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.582 1.176 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 69.3 m -103.1 97.95 7.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 0.0 109.969 -179.926 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.918 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -107.17 88.83 2.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.551 1.157 . . . . 0.0 109.219 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 4.7 p -98.74 76.58 2.2 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.767 HG21 HG13 ' A' ' 55' ' ' VAL . 20.9 p -111.34 145.95 37.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.575 ' O ' HD22 ' A' ' 67' ' ' LEU . 55.5 p -96.52 148.79 22.46 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.441 1.088 . . . . 0.0 109.939 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -148.61 160.21 43.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.344 179.899 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.445 HG23 ' CG ' ' A' ' 70' ' ' ARG . 11.0 t -95.72 129.18 43.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.138 . . . . 0.0 110.432 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.928 HG11 HD12 ' A' ' 110' ' ' ILE . 60.5 t -86.78 88.99 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.59 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 12.0 mtp180 -88.15 63.67 7.35 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 70' ' ' ARG . 25.1 ttp180 -31.57 -40.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 179.922 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 31.2 p -86.16 108.9 18.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.149 . . . . 0.0 109.938 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.638 ' CE2' ' OD1' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -157.0 165.47 36.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 179.93 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -95.48 82.51 3.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.225 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -46.13 158.02 0.37 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.464 1.102 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -136.43 123.56 21.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 110.99 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.928 HD13 HG23 ' A' ' 81' ' ' THR . 2.5 mp -57.36 151.63 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.382 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -26.6 62.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -55.34 -50.9 68.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.919 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.68 -28.77 0.55 Allowed Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.945 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.928 HG23 HD13 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -80.87 147.59 30.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 110.452 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -85.86 145.0 27.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.355 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.649 ' CD1' HG13 ' A' ' 40' ' ' VAL . 57.6 t-105 -105.11 -86.76 0.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.022 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.609 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 144.07 -106.86 0.43 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.609 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 6.6 m 90.38 -52.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 0.819 . . . . 0.0 110.459 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.556 HG12 ' N ' ' A' ' 87' ' ' ASP . 89.2 t 68.74 -104.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.556 ' N ' HG12 ' A' ' 86' ' ' VAL . 27.3 t0 -62.66 97.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.61 1.193 . . . . 0.0 109.248 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 8.8 t -79.94 64.59 4.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.3 t -103.66 -22.17 13.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 91' ' ' ALA . 8.9 t -89.2 -51.0 5.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 110.343 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.467 ' N ' HG23 ' A' ' 90' ' ' THR . . . -89.54 150.98 22.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -90.43 120.83 31.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.632 1.207 . . . . 0.0 109.241 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.21 122.2 33.63 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.545 1.153 . . . . 0.0 108.262 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.547 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 33.9 mt-30 -97.97 108.63 21.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.137 . . . . 0.0 110.232 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.608 HG22 ' HB3' ' A' ' 36' ' ' GLN . 1.3 t -90.05 128.19 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.229 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.513 ' O ' ' C18' ' A' ' 130' ' ' NCZ . . . 178.2 171.88 42.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.394 1.059 . . . . 0.0 110.989 179.91 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.017 HD21 ' HB ' ' A' ' 55' ' ' VAL . 0.8 OUTLIER -94.23 128.67 40.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 0.727 . . . . 0.0 109.302 179.886 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.6 p -96.43 159.49 14.92 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.526 1.141 . . . . 0.0 110.07 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.621 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -88.37 157.23 18.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 109.199 -179.875 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.4 6.12 46.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -100.3 -16.98 17.5 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.23 51.77 3.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.112 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 105' ' ' PRO . 72.9 m-20 -111.11 144.14 40.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.79 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -33.3 94.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.55 1.156 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.562 ' HG2' ' C1 ' ' A' ' 130' ' ' NCZ . 18.2 Cg_endo -75.07 111.44 3.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.48 142.39 37.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -141.25 173.42 23.35 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.503 HG21 ' H ' ' A' ' 7' ' ' VAL . 11.8 p -104.93 132.17 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.76 91.5 1.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.928 HD12 HG11 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -83.69 137.62 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.208 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.4 t 156.86 -69.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.486 1.116 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 12.1 t80 -138.57 151.24 47.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.364 1.04 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.8 t30 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.367 179.952 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.74 H182 ' O ' ' A' ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.519 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.627 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . 174.9 64.77 0.05 OUTLIER Pre-proline 0 C--N 1.323 -0.577 0 O-C-N 124.528 1.143 . . . . 0.0 109.207 179.915 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.576 ' O ' HG23 ' A' ' 6' ' ' THR . 18.4 Cg_endo -75.12 92.84 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.582 1.833 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.922 ' HB ' HD13 ' A' ' 26' ' ' LEU . 30.6 p 46.94 -159.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.67 1.231 . . . . 0.0 110.402 179.859 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.8 ' HB2' HD22 ' A' ' 26' ' ' LEU . . . -58.97 114.92 2.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -140.18 145.08 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.63 1.206 . . . . 0.0 110.326 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.033 HG12 ' HD2' ' A' ' 9' ' ' PRO . 4.7 t -79.83 130.66 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.602 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -39.19 -61.76 0.91 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.614 1.196 . . . . 0.0 110.387 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.033 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.94 -155.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.451 ' HB3' ' N ' ' A' ' 113' ' ' ASN . 1.0 OUTLIER -151.84 -34.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.971 179.904 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 111' ' ' SER . 0.4 OUTLIER -83.28 37.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.998 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -92.88 19.72 49.99 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.501 1.126 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.627 HD12 ' N ' ' A' ' 14' ' ' SER . 1.8 pp -35.23 -47.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 0.808 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.627 ' N ' HD12 ' A' ' 13' ' ' LEU . 9.4 t -154.92 -124.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.501 1.126 . . . . 0.0 110.054 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER 42.74 34.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 37.49 55.75 1.63 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.828 ' O ' HG12 ' A' ' 69' ' ' VAL . 3.7 m -69.5 105.0 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 -179.889 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.788 HG22 ' OG1' ' A' ' 68' ' ' THR . 5.1 t -94.77 122.46 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.902 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -151.68 -167.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.175 -179.883 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 2.6 mttt -107.37 140.95 39.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.421 179.849 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 6' ' ' THR . 64.6 t -114.41 103.69 15.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.09 127.13 35.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -109.46 94.28 0.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.678 1.236 . . . . 0.0 110.948 -179.917 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -90.93 110.52 21.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.578 0.81 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.82 32.41 29.93 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.599 1.187 . . . . 0.0 111.129 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.922 HD13 ' HB ' ' A' ' 4' ' ' THR . 10.9 tp -99.33 -138.08 0.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.991 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.6 mp0 -52.21 90.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -60.08 84.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 73.43 15.05 79.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.421 1.076 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.528 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.6 -178.44 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 0.822 . . . . 0.0 110.481 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.737 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -144.68 103.12 3.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.383 179.873 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.716 ' HB2' HD12 ' A' ' 97' ' ' LEU . 12.4 m-30 -114.17 170.18 8.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.5 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -90.91 112.41 24.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 179.977 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.663 HG23 ' HB3' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -74.29 144.52 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.182 . . . . 0.0 109.192 -179.918 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.639 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 169.24 161.67 20.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 111.068 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.807 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -98.43 107.41 19.86 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.393 0.702 . . . . 0.0 110.387 179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.564 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 2.3 t -108.0 152.82 23.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 108.335 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.653 ' HB2' ' HA ' ' A' ' 93' ' ' CYS . . . -172.6 165.26 5.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 109.264 179.935 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.526 ' CZ3' ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -78.69 117.9 20.26 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.623 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.9 OUTLIER -106.99 -47.55 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.239 -179.939 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.6 ' OD2' ' CZ2' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -87.99 -175.45 5.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.401 1.063 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.653 ' O ' HG23 ' A' ' 44' ' ' VAL . 46.9 m -50.33 92.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 49.76 23.16 4.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.059 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 42' ' ' THR . 53.3 t -98.35 117.23 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.6 0.824 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -69.67 105.48 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -113.51 134.86 54.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.373 1.046 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.568 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 42.5 m -97.66 155.94 16.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 108.155 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.474 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -85.57 167.0 27.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.163 . . . . 0.0 109.25 -179.944 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.64 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.0 Cg_endo -75.05 -11.39 21.38 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.546 1.814 . . . . 0.0 110.937 -179.902 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.48 12.26 31.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.36 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.639 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -89.47 6.75 39.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.067 . . . . 0.0 109.362 179.943 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -105.99 93.02 4.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 111.037 179.938 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.476 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -149.68 85.24 1.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.617 1.198 . . . . 0.0 109.944 -179.884 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 55' ' ' VAL . 28.5 t -35.31 140.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 110.058 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.068 HG13 HG21 ' A' ' 65' ' ' THR . 2.7 t -155.4 144.74 12.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.479 1.112 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.737 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -132.21 146.21 51.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 110.379 -179.927 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.994 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -105.98 143.78 33.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -63.07 158.37 19.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.41 -29.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 58' ' ' ASP . 20.6 t30 -88.4 34.72 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.91 40.21 3.09 Favored Glycine 0 CA--C 1.528 0.873 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 3.4 m -105.56 100.25 9.83 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.356 0.68 . . . . 0.0 109.959 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.994 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -104.95 85.46 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.414 179.867 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 p -95.83 74.76 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 -179.941 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 1.068 HG21 HG13 ' A' ' 55' ' ' VAL . 82.2 p -110.03 136.39 49.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.972 ' O ' HD22 ' A' ' 67' ' ' LEU . 63.7 p -105.69 143.43 33.85 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.405 1.066 . . . . 0.0 110.036 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.972 HD22 ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -160.11 -174.52 4.59 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.788 ' OG1' HG22 ' A' ' 18' ' ' VAL . 63.4 m -108.26 126.49 52.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 17' ' ' THR . 4.5 p -89.22 92.42 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.468 ' N ' ' OE1' ' A' ' 36' ' ' GLN . 4.2 mmt180 -96.04 125.63 40.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 22.2 ttp180 -91.43 -39.98 11.68 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.351 1.032 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 13.6 p -85.02 131.78 34.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.049 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.512 ' HB3' ' CG ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 161.78 -177.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.952 -179.962 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.489 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 2.5 tt0 -91.34 107.19 19.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.418 ' HA3' ' OG1' ' A' ' 85' ' ' THR . . . -88.72 167.75 35.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -135.46 132.89 37.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.727 . . . . 0.0 111.032 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.532 ' CD1' ' HB2' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -53.11 176.2 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.585 1.178 . . . . 0.0 109.356 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -82.79 -27.07 31.23 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.574 1.171 . . . . 0.0 111.084 179.909 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.452 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -61.42 -57.89 10.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.49 -27.54 0.25 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -73.06 146.29 45.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 0.817 . . . . 0.0 110.404 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.432 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 23.8 ptt180 -81.61 139.27 35.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 -179.892 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.623 ' CD1' HG13 ' A' ' 40' ' ' VAL . 60.6 t-105 -97.06 -88.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 108.03 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.489 ' O ' ' HA ' ' A' ' 74' ' ' GLU . . . 173.04 -57.3 0.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 87' ' ' ASP . 61.8 m 69.95 -62.37 0.43 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.406 0.71 . . . . 0.0 110.488 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 72' ' ' SER . 57.6 t 66.24 -67.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 179.879 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 85' ' ' THR . 0.5 OUTLIER -143.79 96.2 2.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.4 1.063 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 4.0 t -68.33 67.23 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 108.259 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 87' ' ' ASP . 9.7 t -106.31 -12.87 15.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.044 . . . . 0.0 110.445 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 91' ' ' ALA . 10.0 t -89.24 -55.01 3.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.01 130.78 36.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.75 115.06 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.343 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.653 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -81.94 124.08 29.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 108.352 179.913 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.49 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.9 pt20 -101.59 123.36 45.48 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.411 1.069 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.807 HG22 ' HG2' ' A' ' 36' ' ' GLN . 44.0 t -87.44 114.89 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.576 1.172 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.491 ' O ' H183 ' A' ' 130' ' ' NCZ . . . -163.16 170.12 38.51 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.777 HD21 ' CD2' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -107.52 133.39 52.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.6 p -103.3 154.93 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.507 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -64.23 160.71 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 -179.952 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.38 -3.08 38.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.235 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.08 -87.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -173.35 37.12 0.13 Allowed Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.439 1.087 . . . . 0.0 110.99 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.437 ' HA ' ' H16' ' A' ' 130' ' ' NCZ . 0.2 OUTLIER -147.87 151.4 35.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.233 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.532 ' O ' ' C2 ' ' A' ' 130' ' ' NCZ . . . 177.68 66.22 0.06 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.521 1.138 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 1.68 7.48 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.523 1.802 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.31 149.89 27.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 140.74 147.97 5.04 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 -179.922 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.3 p -104.41 128.76 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.431 0.724 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.09 90.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.769 HG21 HG21 ' A' ' 69' ' ' VAL . 1.5 tp -81.08 159.61 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.454 ' O ' HD23 ' A' ' 13' ' ' LEU . 4.4 p 167.31 -71.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.573 1.171 . . . . 0.0 110.01 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 27.6 p90 -157.17 118.63 3.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.451 ' N ' ' HB3' ' A' ' 10' ' ' SER . 20.8 t-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.568 ' C10' ' SG ' ' A' ' 47' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.788 ' O ' ' CB ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.788 ' CB ' ' O ' ' A' ' 1' ' ' ALA . . . 134.43 -40.31 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.372 1.045 . . . . 0.0 109.355 179.875 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.698 ' CD ' ' N ' ' A' ' 2' ' ' ALA . 18.5 Cg_endo -74.97 60.46 5.43 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.44 1.758 . . . . 0.0 110.996 179.9 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.62 ' HB ' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER 57.25 -164.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.335 179.927 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.918 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -74.23 127.49 33.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -137.08 143.78 42.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.406 1.066 . . . . 0.0 110.382 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.953 ' HB ' HD11 ' A' ' 110' ' ' ILE . 3.5 t -88.32 113.11 24.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.563 1.165 . . . . 0.0 109.307 179.899 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.732 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -51.27 -68.7 0.36 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.95 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.732 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.05 52.24 3.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.753 ' HA ' HD23 ' A' ' 13' ' ' LEU . 79.9 p -87.4 -0.55 56.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 112' ' ' PHE . 51.1 p -93.2 128.18 39.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.065 179.904 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 41.16 47.92 4.39 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.999 HD21 HG23 ' A' ' 110' ' ' ILE . 0.8 OUTLIER -73.16 173.35 9.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 0.729 . . . . 0.0 109.266 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 69' ' ' VAL . 1.6 t -135.85 153.19 51.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.051 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.421 ' HA ' ' HA ' ' A' ' 70' ' ' ARG . 29.9 p-10 -61.19 99.24 0.09 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.45 ' HA2' ' CG2' ' A' ' 68' ' ' THR . . . 112.99 24.62 4.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.34 126.32 39.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 0.751 . . . . 0.0 110.429 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -72.83 115.68 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.95 ' HB ' HG13 ' A' ' 7' ' ' VAL . 5.1 m -120.7 162.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.328 1.017 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.68 115.73 29.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.918 HG12 ' HB1' ' A' ' 5' ' ' ALA . 1.4 t -91.47 91.04 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.61 112.15 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.496 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -110.84 139.9 15.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.436 1.085 . . . . 0.0 111.077 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.767 ' HB3' ' HA ' ' A' ' 2' ' ' ALA . . . -145.04 118.7 9.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.28 -179.932 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 85.78 9.53 77.81 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.938 ' HG ' HD11 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -71.41 -107.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.865 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 17.2 mm-40 -49.79 -21.44 1.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.43 1.081 . . . . 0.0 110.245 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.436 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 64.13 17.01 10.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 124.74 -8.27 8.22 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.579 1.174 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.487 HG22 ' H ' ' A' ' 31' ' ' ALA . 1.3 m -80.87 -161.42 0.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 0.757 . . . . 0.0 110.474 179.933 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.534 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -143.53 122.37 12.69 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.817 ' HB2' HD12 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -123.84 176.24 6.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.409 1.068 . . . . 0.0 111.025 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.495 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 15.2 t0 -100.94 126.39 47.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.598 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -86.06 139.82 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.445 179.898 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.558 ' HA2' ' HA ' ' A' ' 51' ' ' ASP . . . 173.41 148.93 6.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.095 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.744 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -91.97 108.71 20.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.566 0.804 . . . . 0.0 110.348 179.912 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.586 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 2.1 t -108.14 149.36 28.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 108.299 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -174.01 154.72 2.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.5 p-90 -62.15 115.47 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.981 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -98.17 -42.02 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.453 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -84.23 -154.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.74 ' O ' HG23 ' A' ' 42' ' ' THR . 6.6 t -75.77 56.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.453 179.901 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.46 1.16 57.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.455 1.097 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 21.1 t -78.97 113.61 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.426 0.721 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 104.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.388 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.981 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -114.71 134.89 54.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.366 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.62 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 31.8 m -101.48 156.06 17.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 108.339 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.613 HD22 ' N ' ' A' ' 48' ' ' ASN . 1.2 m120 -85.7 165.73 33.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.606 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.04 -9.86 20.9 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.461 1.769 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.66 14.01 29.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.558 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.92 7.39 31.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.237 -179.917 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.606 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 2.2 m-85 -105.79 90.33 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.065 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.581 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -145.73 84.01 1.66 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.123 . . . . 0.0 109.987 179.957 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 53' ' ' SER . 14.5 t -33.15 143.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.686 HG21 HG21 ' A' ' 65' ' ' THR . 1.3 p -152.05 149.71 13.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.223 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.534 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -137.03 138.82 40.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.43 179.982 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.952 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -105.69 136.72 44.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 1.045 . . . . 0.0 109.394 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.646 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -58.65 162.31 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -36.99 -37.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -87.85 38.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.367 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.646 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.58 38.95 1.63 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.47 1.106 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -93.99 93.58 7.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 0.79 . . . . 0.0 109.992 179.964 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.952 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -106.29 79.85 1.43 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.455 1.097 . . . . 0.0 109.225 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 p -91.44 77.66 5.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.065 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.686 HG21 HG21 ' A' ' 55' ' ' VAL . 3.8 t -109.18 146.05 34.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.359 1.037 . . . . 0.0 110.348 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.507 ' O ' HD22 ' A' ' 67' ' ' LEU . 28.0 p -106.32 149.34 27.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.507 HD22 ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -152.53 174.6 13.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.45 ' CG2' ' HA2' ' A' ' 16' ' ' GLY . 52.3 m -106.42 135.46 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.358 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.932 HG11 HD22 ' A' ' 13' ' ' LEU . 25.1 t -88.73 90.91 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.602 1.189 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' ARG . 1.2 mtt180 -100.87 69.59 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 110.232 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -36.01 -38.32 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.609 1.193 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 9.8 p -79.52 110.41 14.8 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.595 ' CE1' ' ND2' ' A' ' 48' ' ' ASN . 8.2 p90 -157.82 147.77 20.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.474 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 58.8 tt0 -80.44 79.05 7.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.797 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -37.79 150.65 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.105 . . . . 0.0 111.049 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.549 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -137.02 117.4 13.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.578 0.81 . . . . 0.0 110.985 179.945 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.868 HD12 ' CG2' ' A' ' 81' ' ' THR . 6.8 mt -56.78 124.61 19.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -55.66 -25.57 40.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 111.049 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -52.48 -48.9 65.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.384 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.0 -24.54 0.48 Allowed Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.517 1.136 . . . . 0.0 111.074 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.868 ' CG2' HD12 ' A' ' 77' ' ' LEU . 10.7 t -89.6 145.57 25.17 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.427 0.722 . . . . 0.0 110.461 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -94.49 142.59 27.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.245 -179.891 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.751 ' HB2' HD21 ' A' ' 77' ' ' LEU . 67.5 t-105 -104.91 -89.07 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 107.989 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.597 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 141.44 -106.19 0.46 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.533 1.146 . . . . 0.0 110.8 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.597 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 58.0 m 82.29 -50.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 0.748 . . . . 0.0 110.392 -179.899 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.546 HG12 ' N ' ' A' ' 87' ' ' ASP . 93.5 t 69.08 -103.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.546 ' N ' HG12 ' A' ' 86' ' ' VAL . 8.8 t0 -49.58 95.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 40.5 t -81.81 52.7 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 108.201 -179.922 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.9 t -93.5 -22.53 18.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 m -88.55 -50.91 5.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.401 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -89.39 149.74 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.233 -179.877 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.448 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -88.79 118.32 28.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.419 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -90.63 122.04 33.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.608 1.192 . . . . 0.0 108.237 -179.929 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.514 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 29.5 mt-30 -94.37 112.43 24.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.815 ' HB ' HD13 ' A' ' 110' ' ' ILE . 36.9 t -87.86 114.74 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -165.72 175.73 41.33 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.938 HD11 ' HG ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -106.47 124.16 49.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.804 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.525 ' HB3' ' C7 ' ' A' ' 130' ' ' NCZ . 80.6 p -97.16 167.09 11.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.389 1.055 . . . . 0.0 109.932 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.639 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -76.13 160.81 29.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.29 -4.51 30.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.18 -29.96 17.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.8 46.52 2.08 Favored Glycine 0 CA--C 1.532 1.134 0 O-C-N 124.453 1.095 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 70.5 m-80 -148.28 161.54 41.3 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.467 0.746 . . . . 0.0 109.202 -179.888 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.62 100.94 2.57 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.613 1.196 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.576 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.3 Cg_endo -74.93 50.06 2.4 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.434 1.755 . . . . 0.0 110.962 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.851 ' O ' H181 ' A' ' 130' ' ' NCZ . 1.0 OUTLIER -91.3 119.72 31.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.93 148.94 7.92 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.342 1.026 . . . . 0.0 111.075 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.808 HG13 HD12 ' A' ' 110' ' ' ILE . 14.6 p -97.77 137.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.56 94.31 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.614 1.196 . . . . 0.0 109.366 179.872 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.999 HG23 HD21 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -79.26 139.79 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 2.2 t 149.14 -82.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.957 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.57 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 1.7 p90 -143.38 127.94 18.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 31.1 t30 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.98 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.851 H181 ' O ' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.39 71.24 1.65 Allowed Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.542 ' HD2' ' HB3' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.97 -16.96 20.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.391 1.732 . . . . 0.0 111.033 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.719 ' HB ' HD22 ' A' ' 26' ' ' LEU . 1.3 p 54.94 -145.89 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.221 179.93 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.649 ' HB2' HD21 ' A' ' 97' ' ' LEU . . . -77.11 122.39 24.92 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 1.2 p -143.8 144.93 32.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.465 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.993 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.7 t -76.94 134.12 29.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.217 -179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.559 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -41.69 -59.65 2.35 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 -179.956 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.993 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.11 -160.89 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.453 ' HB2' ' CA ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -135.52 -44.85 0.68 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 -179.957 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -80.74 68.18 6.89 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.945 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -61.3 -9.67 17.71 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.924 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.927 ' O ' HD12 ' A' ' 13' ' ' LEU . 4.2 pp -67.87 61.25 0.07 Allowed 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.498 0.763 . . . . 0.0 109.334 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -136.75 127.33 26.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.912 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 14' ' ' SER . 11.9 p-10 -33.78 94.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.58 1.175 . . . . 0.0 109.382 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 51.31 68.53 1.47 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.438 1.086 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.521 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 2.1 m -69.58 109.54 4.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.462 0.742 . . . . 0.0 110.377 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.717 HG22 HG23 ' A' ' 68' ' ' THR . 3.5 t -89.34 118.33 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.961 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -150.2 -171.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.927 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -113.01 137.15 51.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.943 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 6' ' ' THR . 86.0 t -110.78 105.16 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.98 130.01 35.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.49 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -105.84 109.12 3.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.127 . . . . 0.0 111.07 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.542 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . . . -92.99 110.78 22.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 0.79 . . . . 0.0 109.387 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.76 40.95 99.01 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.719 HD22 ' HB ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -86.13 -122.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 0.752 . . . . 0.0 109.373 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.686 ' N ' HD12 ' A' ' 26' ' ' LEU . 7.4 mm-40 -41.71 -24.48 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.461 1.1 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.523 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . 56.95 56.34 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 93.73 -27.86 11.58 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.636 HG22 ' H ' ' A' ' 31' ' ' ALA . 2.7 m -65.3 -159.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 0.773 . . . . 0.0 110.441 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.905 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -153.28 129.24 10.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 109.271 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.746 ' CE1' ' HA ' ' A' ' 99' ' ' ASP . 1.5 m-30 -132.36 -167.63 1.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 111.021 179.918 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -117.81 117.74 30.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.855 HG21 HG21 ' A' ' 65' ' ' THR . 2.0 t -77.36 150.39 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.12 . . . . 0.0 109.234 -179.881 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.74 ' O ' H182 ' A' ' 130' ' ' NCZ . . . 169.77 148.5 5.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.686 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -92.3 82.86 4.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.342 0.672 . . . . 0.0 110.32 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.591 ' HB3' ' C1 ' ' A' ' 130' ' ' NCZ . 10.1 t -92.73 151.59 19.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.19 -179.899 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . -171.42 171.78 5.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.466 ' CD1' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -77.21 122.49 25.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.995 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.571 HG23 ' HA ' ' A' ' 85' ' ' THR . 6.2 p -101.65 -49.07 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.203 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.496 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -89.52 -159.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -81.47 91.83 6.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.855 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.31 8.5 75.28 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.542 1.151 . . . . 0.0 111.044 -179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.496 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 6.4 t -96.48 112.25 28.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.628 0.84 . . . . 0.0 109.242 -179.951 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.795 HD21 ' H1 ' ' A' ' 130' ' ' NCZ . 0.7 OUTLIER -75.32 120.49 20.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.934 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . . . -130.4 143.01 50.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.622 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 3.7 m -110.75 149.59 30.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.212 -179.876 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.579 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -82.51 171.94 10.67 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.943 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.53 ' HD2' ' HB3' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -74.88 -10.07 21.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.307 1.688 . . . . 0.0 111.051 179.903 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.23 13.56 32.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.607 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -89.03 9.22 26.03 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 9.0 m-85 -106.52 98.8 8.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.47 ' HB3' HG12 ' A' ' 34' ' ' VAL . 47.3 t -144.97 79.02 1.58 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.42 1.075 . . . . 0.0 109.961 -179.915 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.6 p -56.5 126.59 27.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.431 1.082 . . . . 0.0 109.987 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.744 HG21 ' HB ' ' A' ' 65' ' ' THR . 9.8 p -154.69 161.26 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.905 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -124.9 148.73 48.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.975 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -92.78 137.43 32.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.431 1.082 . . . . 0.0 109.401 179.844 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER -64.52 160.75 18.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -37.24 -37.89 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.38 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -87.96 38.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.41 1.069 . . . . 0.0 109.359 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.642 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.95 37.44 1.39 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.49 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 49.4 m -96.62 99.89 11.49 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.42 0.717 . . . . 0.0 109.926 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -102.9 87.15 2.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.8 p -95.62 81.2 3.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.077 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.855 HG21 HG21 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -107.76 133.54 52.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.922 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 34.4 p -92.74 138.36 31.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.944 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.864 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -153.66 167.45 29.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.864 ' H ' HD13 ' A' ' 67' ' ' LEU . 51.1 m -106.65 141.97 37.05 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.431 1.082 . . . . 0.0 110.442 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 17' ' ' THR . 21.8 t -88.18 87.37 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.382 1.051 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -87.02 72.6 10.04 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.512 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 4.6 ttm180 -45.69 -36.06 4.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.636 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 17.2 p -104.08 128.31 51.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.04 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 72' ' ' SER . 0.4 OUTLIER 160.58 126.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.427 1.079 . . . . 0.0 111.029 -179.943 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.675 ' CB ' HG23 ' A' ' 86' ' ' VAL . 17.1 tt0 -80.28 122.57 27.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -111.5 -140.19 8.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.423 1.077 . . . . 0.0 110.889 -179.878 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 47' ' ' CYS . 42.2 p90 -130.77 150.61 51.86 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.45 0.735 . . . . 0.0 110.951 -179.907 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.507 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 1.3 mt -88.15 175.47 7.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.401 179.887 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -60.1 -27.97 67.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 111.064 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.04 -59.66 2.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.112 . . . . 0.0 109.257 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.66 -27.92 0.2 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.499 ' HB ' HD12 ' A' ' 77' ' ' LEU . 32.1 m -40.25 130.43 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 0.781 . . . . 0.0 110.434 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -75.51 74.01 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.972 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.663 ' O ' ' N ' ' A' ' 75' ' ' GLY . 1.9 t90 -112.99 -79.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.661 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 55.8 132.69 0.01 OUTLIER Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.661 ' C ' ' O ' ' A' ' 84' ' ' GLY . 8.4 m 11.88 -81.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 0.712 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.675 HG23 ' CB ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER 86.26 -42.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.597 1.186 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -153.8 91.59 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.609 1.193 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.512 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -80.55 53.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.359 1.037 . . . . 0.0 108.295 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.5 t -92.46 -5.95 50.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 m -144.7 -46.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.433 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.86 135.03 43.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.378 1.049 . . . . 0.0 109.247 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.766 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -80.96 126.5 31.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.228 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.84 123.76 34.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.29 179.935 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.591 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 31.3 mt-30 -94.19 103.09 15.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.686 HG22 ' HB3' ' A' ' 36' ' ' GLN . 2.0 t -87.45 114.74 26.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 124.534 1.146 . . . . 0.0 109.197 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -166.1 171.27 41.13 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.77 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -98.47 120.96 39.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 0.818 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 104' ' ' GLY . 3.9 m -106.84 170.59 7.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.043 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.746 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -51.75 164.88 0.21 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.604 1.19 . . . . 0.0 109.233 -179.926 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.47 -30.75 42.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.0 10.99 14.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.561 1.163 . . . . 0.0 109.207 -179.934 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 99' ' ' ASP . . . 66.15 33.33 84.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.954 179.904 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.542 ' HA ' ' C15' ' A' ' 130' ' ' NCZ . 66.4 m-20 -102.88 156.73 17.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.4 ' O ' ' OG ' ' A' ' 98' ' ' SER . . . 101.99 121.43 4.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.394 1.059 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 49.62 2.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.569 1.826 . . . . 0.0 111.046 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.808 ' O ' H181 ' A' ' 130' ' ' NCZ . 0.3 OUTLIER -91.49 121.22 33.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 180.0 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.408 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . 151.07 154.82 6.67 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 p -106.2 139.81 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.234 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.766 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -74.49 90.34 2.2 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.5 ' O ' ' CB ' ' A' ' 111' ' ' SER . 2.3 tp -90.17 153.3 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.756 ' O ' HD23 ' A' ' 13' ' ' LEU . 1.6 m 159.95 -55.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.006 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.487 ' O ' ' CG ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -148.16 118.3 7.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 111.063 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.453 ' CA ' ' HB2' ' A' ' 10' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.808 H181 ' O ' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.672 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -154.23 50.55 0.56 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.242 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.941 ' HG2' HG21 ' A' ' 6' ' ' THR . 18.4 Cg_endo -75.06 77.03 3.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 111.078 179.925 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.632 ' HB ' HD22 ' A' ' 26' ' ' LEU . 25.4 p 40.7 -122.61 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.471 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -85.54 127.69 34.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 109.329 -179.909 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.941 HG21 ' HG2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -149.8 143.38 25.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.613 1.195 . . . . 0.0 110.346 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.895 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.0 t -74.49 130.79 35.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.49 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.12 -55.94 1.27 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 0.0 110.363 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.895 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.97 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.605 1.845 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 m -137.55 -52.91 0.66 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 111' ' ' SER . 88.3 p -77.54 90.37 3.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.419 1.074 . . . . 0.0 109.938 -179.926 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.531 ' CA ' HG11 ' A' ' 69' ' ' VAL . . . -65.79 -4.64 20.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.106 . . . . 0.0 111.052 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 111' ' ' SER . 1.0 OUTLIER -72.53 54.08 0.32 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 0.759 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -130.52 121.15 25.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.93 179.968 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' A' ' 14' ' ' SER . 1.8 t70 -34.61 93.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.332 179.905 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 40.51 69.72 0.45 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.401 1.063 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.48 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.3 OUTLIER -75.4 122.36 23.68 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.449 0.735 . . . . 0.0 110.404 -179.956 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.747 HG13 ' OG1' ' A' ' 68' ' ' THR . 1.9 t -94.16 121.97 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.741 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -148.2 -171.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -119.55 136.05 54.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.902 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.709 ' HB ' HG23 ' A' ' 65' ' ' THR . 2.7 t -99.96 113.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -87.67 127.23 35.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.212 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.753 ' HA3' ' HB3' ' A' ' 63' ' ' ALA . . . -103.86 109.0 3.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 0.0 111.058 179.862 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.427 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . . . -107.43 89.98 3.16 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.48 0.753 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.94 32.4 6.5 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.632 HD22 ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -88.89 -136.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 0.785 . . . . 0.0 109.369 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.996 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 7.3 mm-40 -61.46 91.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.29 81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.375 1.047 . . . . 0.0 109.193 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 82.52 4.83 89.97 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.411 1.07 . . . . 0.0 111.074 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.555 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -89.88 -178.21 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 0.807 . . . . 0.0 110.341 -179.934 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.696 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -141.51 112.65 7.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.434 1.084 . . . . 0.0 109.203 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.763 ' HB2' HD12 ' A' ' 97' ' ' LEU . 6.8 m-30 -116.62 -169.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.485 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -118.93 114.67 22.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.751 HG21 HG21 ' A' ' 65' ' ' THR . 2.5 t -73.9 146.97 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.649 ' O ' H182 ' A' ' 130' ' ' NCZ . . . 170.08 149.99 6.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.713 ' HG3' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -92.54 100.0 12.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.634 0.844 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.628 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 3.9 t -106.27 168.98 8.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 108.329 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 167.94 162.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 109.376 -179.95 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 14.3 p90 -75.24 109.7 8.96 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.954 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.649 HG21 ' CD1' ' A' ' 83' ' ' TRP . 8.8 p -86.84 -52.33 11.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.515 ' N ' HG13 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -89.53 -169.61 2.54 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.33 1.019 . . . . 0.0 109.231 -179.938 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.499 ' O ' HG23 ' A' ' 44' ' ' VAL . 17.2 m -59.89 94.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.47 18.57 30.44 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.533 1.146 . . . . 0.0 110.914 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.602 HG11 HD22 ' A' ' 77' ' ' LEU . 48.6 t -92.53 105.77 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.419 0.717 . . . . 0.0 109.362 179.908 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.519 HD11 ' C11' ' A' ' 130' ' ' NCZ . 3.0 tm? -67.71 106.72 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.569 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -121.17 148.26 44.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.617 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 13.2 m -115.82 153.82 30.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 108.31 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.544 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -82.34 172.69 8.98 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 124.428 1.08 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.585 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.05 -11.63 21.39 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.81 18.73 21.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.647 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -87.25 7.22 29.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -108.3 101.74 10.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.613 1.195 . . . . 0.0 110.978 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.49 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 23.1 t -151.34 80.56 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.1 p -49.34 129.15 18.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.913 HG21 ' CB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -150.46 160.34 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.696 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -136.06 147.02 47.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.996 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -107.48 145.73 32.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -70.96 157.4 38.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 0.0 109.337 179.981 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.92 -26.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.618 1.199 . . . . 0.0 109.337 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 58' ' ' ASP . 20.2 t-20 -87.1 34.59 0.68 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.13 36.04 1.89 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.296 0.998 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 1.3 m -97.88 96.75 8.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 0.703 . . . . 0.0 109.962 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.753 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . . . -96.29 88.9 4.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.395 1.06 . . . . 0.0 109.408 179.887 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.6 p -88.35 81.55 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.087 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.913 ' CB ' HG21 ' A' ' 55' ' ' VAL . 10.0 t -106.09 169.86 8.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 -179.887 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 87.4 p -150.89 143.85 24.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.695 1.247 . . . . 0.0 109.851 -179.911 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.488 HD13 ' OG ' ' A' ' 53' ' ' SER . 5.6 tp -166.36 176.5 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 179.915 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.747 ' OG1' HG13 ' A' ' 18' ' ' VAL . 18.4 m -108.41 143.48 37.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.64 1.213 . . . . 0.0 110.461 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.531 HG11 ' CA ' ' A' ' 12' ' ' GLY . 14.1 t -88.47 86.42 2.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 109.339 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.656 ' O ' ' CE2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -87.09 71.53 10.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.392 1.058 . . . . 0.0 110.23 -179.869 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.498 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 3.0 tmm_? -35.81 -37.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 73' ' ' PHE . 97.6 p -104.05 134.88 46.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.682 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER 163.08 119.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.715 ' CB ' HG23 ' A' ' 86' ' ' VAL . 29.3 tt0 -77.87 116.12 18.13 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 179.878 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -105.22 -146.78 15.08 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.54 1.15 . . . . 0.0 110.919 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.543 ' CD2' ' O ' ' A' ' 77' ' ' LEU . 3.3 p90 -130.02 152.07 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 111.058 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.602 HD22 HG11 ' A' ' 44' ' ' VAL . 1.1 mt -89.84 174.31 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.209 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -62.94 -22.93 67.14 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.586 1.179 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -79.37 -57.4 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.247 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.58 -25.2 0.28 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.494 1.122 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.453 ' HB ' ' CD1' ' A' ' 77' ' ' LEU . 2.9 m -47.18 133.84 11.51 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 124.475 0.75 . . . . 0.0 110.553 179.919 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -80.04 76.09 6.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.6 1.188 . . . . 0.0 110.359 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.649 ' CD1' HG21 ' A' ' 40' ' ' VAL . 1.6 t90 -111.09 -84.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.01 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.679 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 56.51 121.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.423 1.077 . . . . 0.0 111.023 -179.904 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.642 ' O ' HG12 ' A' ' 86' ' ' VAL . 47.2 m 16.51 -81.74 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 124.502 0.766 . . . . 0.0 110.445 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.715 HG23 ' CB ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER 87.96 -34.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.656 1.222 . . . . 0.0 109.387 -179.984 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.465 ' CG ' ' CG2' ' A' ' 89' ' ' THR . 8.4 t0 -159.78 93.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.381 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.498 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -69.86 61.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 108.23 -179.898 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.465 ' CG2' ' CG ' ' A' ' 87' ' ' ASP . 33.9 p -105.52 -5.8 19.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.589 1.181 . . . . 0.0 110.356 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.0 m -150.08 -45.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 -179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.42 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -74.49 135.24 42.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.607 1.192 . . . . 0.0 109.237 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.26 107.7 18.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.54 ' SG ' HG21 ' A' ' 85' ' ' THR . 0.6 OUTLIER -87.6 125.59 34.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.627 1.204 . . . . 0.0 108.327 179.993 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 94' ' ' GLN . 2.5 pt20 -100.23 119.64 38.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.396 179.889 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.713 HG13 ' HG3' ' A' ' 36' ' ' GLN . 1.8 t -89.49 120.27 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.379 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.07 174.77 44.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -105.72 128.56 53.76 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 0.777 . . . . 0.0 109.326 179.912 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.481 ' CB ' ' HB3' ' A' ' 105' ' ' PRO . 55.2 p -97.26 163.67 12.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -86.68 158.99 19.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.376 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.39 11.44 14.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.924 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -104.08 -22.91 13.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.64 52.94 2.86 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 105' ' ' PRO . 88.5 m-20 -116.07 152.35 33.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 0.816 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -33.89 95.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.434 1.084 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.546 ' HG2' ' C2 ' ' A' ' 130' ' ' NCZ . 18.4 Cg_endo -75.09 139.68 24.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.78 142.16 28.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.17 156.04 27.36 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.424 1.078 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.684 HG21 HG22 ' A' ' 6' ' ' THR . 0.8 OUTLIER -106.06 124.23 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 0.735 . . . . 0.0 109.226 -179.963 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.0 93.54 0.2 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.472 HD13 HG13 ' A' ' 108' ' ' VAL . 1.2 tp -92.74 142.43 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.596 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER 168.58 -58.12 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.586 1.179 . . . . 0.0 110.04 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.54 ' CD2' ' HB3' ' A' ' 111' ' ' SER . 0.9 OUTLIER -137.58 149.13 46.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.985 179.944 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 19.2 p30 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.98 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.649 H182 ' O ' ' A' ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.635 ' HB1' HG21 ' A' ' 6' ' ' THR . . . 56.35 72.87 0.91 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.593 1.183 . . . . 0.0 109.35 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.439 ' C ' HG23 ' A' ' 4' ' ' THR . 18.1 Cg_endo -74.96 153.97 42.33 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 111.05 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.521 ' HB ' HD22 ' A' ' 26' ' ' LEU . 1.1 p 52.11 -153.65 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.791 ' HB2' HD11 ' A' ' 97' ' ' LEU . . . -75.47 128.04 34.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.383 179.904 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.635 HG21 ' HB1' ' A' ' 2' ' ' ALA . 0.6 OUTLIER -149.48 179.14 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 -179.941 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.8 HG13 HG21 ' A' ' 19' ' ' VAL . 4.6 t -114.58 127.34 72.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.779 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -35.7 -69.7 0.16 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.934 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.898 ' CG ' HG11 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.01 -160.91 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.573 1.828 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -139.37 -45.23 0.45 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.432 1.083 . . . . 0.0 109.956 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -62.74 74.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.959 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.921 ' HA2' HG11 ' A' ' 69' ' ' VAL . . . -61.56 -8.92 15.61 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.549 ' CD1' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -78.81 51.67 1.13 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.41 0.712 . . . . 0.0 109.354 179.931 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -126.15 120.67 30.72 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.407 1.067 . . . . 0.0 109.98 179.959 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' SER . 21.5 p-10 -36.1 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 39.51 69.81 0.39 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.606 HG23 HG13 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -77.33 117.61 19.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 0.0 110.424 179.95 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -85.58 114.25 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.355 179.923 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.898 HG11 ' CG ' ' A' ' 9' ' ' PRO . 33.8 m -134.66 -171.69 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.213 -179.891 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -113.23 134.68 54.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.594 ' HA ' ' O ' ' A' ' 6' ' ' THR . 4.9 t -109.74 102.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.45 133.17 33.79 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.356 1.035 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -123.09 77.21 0.35 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.43 1.081 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.0 125.09 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.424 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 89.25 15.33 59.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.88 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.521 HD22 ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -84.77 -146.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 -179.933 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.766 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 3.5 mt-30 -76.11 84.33 2.96 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.694 1.247 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 59' ' ' ALA . . . -66.18 115.51 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.51 -22.78 35.46 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.472 1.108 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.486 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -91.11 -177.81 5.0 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.549 0.793 . . . . 0.0 110.388 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.808 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -148.81 154.79 40.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.383 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 1.245 ' CE1' HD22 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -150.33 -169.03 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.406 1.066 . . . . 0.0 110.975 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 1.2 m-20 -108.89 116.78 32.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.021 HG21 HG21 ' A' ' 65' ' ' THR . 43.1 t -79.26 130.49 36.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.62 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 179.62 163.05 29.73 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.632 1.207 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.544 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -96.23 101.63 13.31 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.527 0.78 . . . . 0.0 110.257 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.641 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 5.7 t -108.11 154.12 22.16 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.478 1.111 . . . . 0.0 108.319 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 175.62 170.8 0.35 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.421 1.076 . . . . 0.0 109.345 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.5 p-90 -75.56 112.79 12.27 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.683 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -102.62 -50.91 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.177 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.525 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 0.6 OUTLIER -91.35 170.2 10.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.487 ' C ' ' O ' ' A' ' 41' ' ' ASP . 97.5 m -31.9 96.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.381 1.051 . . . . 0.0 110.255 -179.924 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 40.22 27.17 0.13 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.146 . . . . 0.0 110.954 179.897 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.049 HG11 HD23 ' A' ' 77' ' ' LEU . 2.1 t -100.37 118.27 46.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.215 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.537 HD21 H173 ' A' ' 130' ' ' NCZ . 0.3 OUTLIER -68.39 107.99 3.07 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -121.35 137.76 54.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.215 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.559 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 34.4 m -101.31 154.69 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.206 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.629 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 2.1 m120 -75.35 161.6 76.17 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.475 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.6 Cg_endo -74.93 -15.57 20.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.385 1.729 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.67 18.21 21.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.62 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.82 5.26 41.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 3.1 m-85 -96.72 86.72 4.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.3 t -137.37 74.55 1.49 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 109.904 -179.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 p -43.29 125.79 3.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.077 179.922 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.876 HG21 ' OG1' ' A' ' 65' ' ' THR . 2.1 t -147.66 164.76 6.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.808 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -133.37 160.51 37.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 179.924 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -105.92 138.19 42.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -67.88 155.66 38.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.459 ' O ' ' HB1' ' A' ' 28' ' ' ALA . . . -38.53 -31.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' A' ' 58' ' ' ASP . 5.9 t30 -88.41 35.34 0.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.373 1.046 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 38.03 42.76 1.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.478 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 73.6 m -113.3 106.78 15.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 0.741 . . . . 0.0 110.034 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.418 ' HB2' ' OH ' ' A' ' 32' ' ' TYR . . . -107.44 88.9 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.367 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -93.97 79.45 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.927 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 1.021 HG21 HG21 ' A' ' 34' ' ' VAL . 8.8 t -109.07 136.87 47.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 110.474 179.899 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.5 p -89.31 139.16 30.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.938 ' CD1' HG12 ' A' ' 34' ' ' VAL . 2.5 mt -143.2 165.53 27.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.9 t -105.65 134.46 48.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.921 HG11 ' HA2' ' A' ' 12' ' ' GLY . 40.4 t -89.61 83.32 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.755 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 24.3 mtt-85 -103.95 67.47 0.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.856 HH21 HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -37.25 -30.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 13.3 p -90.4 120.23 31.35 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.912 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.755 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -177.02 170.41 2.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.455 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 20.6 tt0 -94.25 104.81 16.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.81 161.5 43.38 Favored Glycine 0 CA--C 1.532 1.142 0 O-C-N 124.393 1.058 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 80' ' ' GLY . 13.6 t80 -134.79 118.67 17.28 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.679 0.87 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.049 HD23 HG11 ' A' ' 44' ' ' VAL . 1.7 mp -55.59 136.9 49.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.504 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.7 t80 -60.82 -25.83 66.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.891 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -55.83 -50.5 70.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.576 ' O ' ' CE1' ' A' ' 76' ' ' PHE . . . 156.53 -24.46 0.51 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.43 ' O ' HD12 ' A' ' 77' ' ' LEU . 56.8 m -82.66 161.63 22.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 30.1 ptt180 -100.45 142.23 32.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 -179.934 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.683 ' CD1' HG13 ' A' ' 40' ' ' VAL . 55.3 t-105 -105.69 -89.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.66 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 141.24 -98.82 0.23 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.541 1.151 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.66 ' HB ' ' O ' ' A' ' 84' ' ' GLY . 96.3 m 82.76 -50.77 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 110.443 -179.9 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.524 HG12 ' N ' ' A' ' 87' ' ' ASP . 98.3 t 72.99 -104.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.524 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -62.29 104.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 4.6 t -86.05 63.92 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 108.233 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.4 t -102.79 -22.27 13.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.598 1.186 . . . . 0.0 110.364 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.8 m -88.92 -47.22 8.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.435 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.418 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.66 143.78 26.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.53 98.6 11.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.639 1.212 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 21.3 m -75.9 132.83 40.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 108.328 179.934 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.488 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 10.8 mt-30 -102.65 118.16 36.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.544 HG22 ' HG2' ' A' ' 36' ' ' GLN . 2.6 t -87.86 112.04 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.207 -179.916 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -161.08 177.15 37.56 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.245 HD22 ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -106.08 131.53 53.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.631 0.842 . . . . 0.0 109.346 179.939 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 26.2 t -105.33 142.09 35.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.944 -179.94 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -74.78 159.88 31.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.82 2.26 53.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.494 ' HB3' ' OD1' ' A' ' 103' ' ' ASN . . . -95.86 -18.61 20.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.94 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.53 51.58 3.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.583 1.177 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.494 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 13.3 m120 -107.83 148.53 29.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 0.71 . . . . 0.0 109.246 -179.905 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.15 97.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.586 1.179 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.628 ' HG2' ' C1 ' ' A' ' 130' ' ' NCZ . 18.8 Cg_endo -74.84 126.62 10.19 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.526 1.803 . . . . 0.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.56 122.15 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.214 -179.931 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -131.84 153.15 20.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.544 1.153 . . . . 0.0 111.017 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 108' ' ' VAL . 2.9 p -104.52 116.35 48.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.478 0.752 . . . . 0.0 109.233 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.67 90.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.496 ' HA ' HD12 ' A' ' 110' ' ' ILE . 1.1 tp -93.84 138.93 19.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.44 1.087 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.549 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 0.7 OUTLIER 175.85 -56.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.92 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -140.32 146.15 38.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.988 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.641 ' C6 ' ' CB ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.511 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -170.35 59.02 0.31 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.923 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.715 ' C ' HG23 ' A' ' 4' ' ' THR . 18.0 Cg_endo -74.87 -155.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.715 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.1 p 67.43 -164.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.437 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.517 ' HB1' ' CG1' ' A' ' 21' ' ' VAL . . . -78.54 125.91 30.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.16 -179.884 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -134.52 143.86 47.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.462 179.967 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.672 HG13 ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -83.94 125.19 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.377 1.048 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.747 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -29.01 -69.62 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.384 -179.96 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.747 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.92 -160.82 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.638 1.862 . . . . 0.0 111.076 179.878 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -148.72 -71.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.398 1.061 . . . . 0.0 109.948 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.483 ' CB ' ' HB3' ' A' ' 112' ' ' PHE . 10.8 t -111.42 150.92 29.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.604 1.19 . . . . 0.0 109.926 -179.893 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.449 ' C ' HD23 ' A' ' 13' ' ' LEU . . . 91.08 37.85 6.18 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.517 1.135 . . . . 0.0 111.155 -179.878 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.644 HD12 HG23 ' A' ' 110' ' ' ILE . 2.3 mt -90.13 153.37 20.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 16' ' ' GLY . 6.6 t -120.82 154.83 35.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.432 ' HA ' ' N ' ' A' ' 71' ' ' ARG . 1.7 t0 -58.16 79.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 124.37 38.41 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.558 1.162 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.2 m -89.19 109.02 19.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.762 . . . . 0.0 110.429 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.408 ' H ' HG23 ' A' ' 18' ' ' VAL . 2.3 t -73.64 122.69 27.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.671 HG21 HG13 ' A' ' 7' ' ' VAL . 35.7 m -140.25 160.25 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.381 1.051 . . . . 0.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -95.85 124.63 39.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.517 ' CG1' ' HB1' ' A' ' 5' ' ' ALA . 53.3 t -98.99 100.32 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.585 1.178 . . . . 0.0 109.243 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -89.22 117.8 28.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 179.898 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.482 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -111.16 135.9 13.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.361 1.038 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.82 122.42 17.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 63.95 21.89 66.09 Favored Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.404 1.065 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.657 HD13 ' HB ' ' A' ' 4' ' ' THR . 45.2 tp -85.79 -98.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.614 0.832 . . . . 0.0 109.264 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.749 ' OE1' HD12 ' A' ' 97' ' ' LEU . 1.6 mp0 -47.61 -20.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.442 1.089 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 71.93 4.57 5.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.208 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 114.07 3.56 22.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 179.886 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.11 -161.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 0.74 . . . . 0.0 110.411 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.584 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -130.23 115.32 16.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.668 ' CD2' ' N ' ' A' ' 99' ' ' ASP . 4.9 m-85 -123.41 163.9 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.461 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 3.1 t70 -90.4 118.62 30.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.734 HG22 HD22 ' A' ' 97' ' ' LEU . 90.0 t -80.61 133.87 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.6 ' O ' H182 ' A' ' 130' ' ' NCZ . . . 176.17 154.01 11.16 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.54 ' HA ' ' O ' ' A' ' 94' ' ' GLN . 1.5 pt20 -92.44 100.03 12.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.796 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.526 ' HB2' ' C5 ' ' A' ' 130' ' ' NCZ . 3.3 t -105.73 153.59 21.65 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.482 1.114 . . . . 0.0 108.293 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 46' ' ' ALA . . . 178.31 170.06 0.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.0 p-90 -77.49 114.66 16.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.567 ' CG1' ' HB3' ' A' ' 46' ' ' ALA . 8.9 p -95.31 -50.06 11.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.361 179.903 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.498 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 1.6 t0 -81.64 -158.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.93 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 42' ' ' THR . 1.5 m -83.73 84.62 7.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.386 1.054 . . . . 0.0 110.431 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.13 18.8 75.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.568 HG11 HD22 ' A' ' 77' ' ' LEU . 19.2 t -104.72 113.5 41.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.574 0.808 . . . . 0.0 109.218 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.71 HD21 H173 ' A' ' 130' ' ' NCZ . 0.1 OUTLIER -72.27 107.11 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.883 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.567 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -117.9 145.12 44.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.637 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 35.5 m -107.95 155.71 20.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 108.285 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.56 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -79.0 163.55 59.59 Favored Pre-proline 0 N--CA 1.451 -0.407 0 O-C-N 124.396 1.06 . . . . 0.0 109.353 179.86 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.581 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.07 -16.93 19.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.66 16.86 24.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.261 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.591 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.76 11.39 15.51 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 49' ' ' PRO . 1.6 m-85 -104.05 91.09 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.4 ' OG ' HD21 ' A' ' 67' ' ' LEU . 11.5 t -144.16 80.3 1.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.504 1.127 . . . . 0.0 109.938 -179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.03 115.85 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.957 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.651 HG21 ' CB ' ' A' ' 65' ' ' THR . 0.4 OUTLIER -136.28 162.16 36.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.596 1.185 . . . . 0.0 109.363 179.858 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.584 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -132.42 151.91 51.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 -179.885 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 1.053 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -107.81 156.2 19.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.608 1.192 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -68.31 157.75 34.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.31 -29.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 109.297 179.93 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' A' ' 58' ' ' ASP . 2.7 t30 -88.77 36.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 40.78 37.86 1.44 Allowed Glycine 0 CA--C 1.532 1.141 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.482 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.9 OUTLIER -99.81 99.78 10.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.618 0.834 . . . . 0.0 109.956 179.971 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 1.053 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.62 77.45 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.19 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -89.71 72.15 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.104 179.914 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.651 ' CB ' HG21 ' A' ' 55' ' ' VAL . 2.8 t -109.96 157.38 19.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 -179.954 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.7 p -117.61 145.24 44.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.349 1.03 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.451 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -148.61 175.36 11.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.616 1.198 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.451 ' H ' HD13 ' A' ' 67' ' ' LEU . 16.4 m -105.18 129.97 53.45 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.561 1.163 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.622 HG11 HD12 ' A' ' 13' ' ' LEU . 19.1 t -87.67 92.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.912 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.432 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 1.3 mmt180 -86.92 74.16 9.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.483 ' HG2' ' CB ' ' A' ' 88' ' ' CYS . 1.7 ttm180 -40.02 -39.15 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.627 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 14.9 t -104.16 133.36 49.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.618 1.199 . . . . 0.0 109.944 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 72' ' ' SER . 0.4 OUTLIER 160.29 127.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.535 ' HA ' HG23 ' A' ' 86' ' ' VAL . 37.1 tt0 -82.02 106.89 14.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.676 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -93.5 -142.11 11.59 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CE2' ' HG2' ' A' ' 82' ' ' ARG . 11.1 m-85 -129.67 151.78 49.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 0.776 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.568 HD22 HG11 ' A' ' 44' ' ' VAL . 1.2 mt -90.5 177.47 6.36 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.411 1.07 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.595 ' CD2' ' O5 ' ' A' ' 130' ' ' NCZ . 7.2 t80 -64.08 -27.94 69.44 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.613 1.196 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.64 -60.82 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.5 -27.13 0.2 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.488 HG22 HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -42.72 157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 110.337 -179.996 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.46 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 3.9 mtp-105 -98.77 77.52 2.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.676 ' O ' ' N ' ' A' ' 75' ' ' GLY . 1.8 t90 -112.66 -83.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.657 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 55.11 130.68 0.01 OUTLIER Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 84' ' ' GLY . 1.6 m 15.83 -82.79 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.603 0.825 . . . . 0.0 110.319 -179.942 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.657 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.4 OUTLIER 88.55 -40.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 109.204 179.927 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 89' ' ' THR . 10.5 t0 -159.39 89.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.243 -179.944 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.483 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -69.13 62.04 0.12 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.386 1.054 . . . . 0.0 108.342 179.92 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 87' ' ' ASP . 14.7 t -104.26 -11.89 16.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 0.0 110.426 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.0 m -143.29 -44.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.374 1.046 . . . . 0.0 110.442 179.92 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.4 138.52 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.897 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.964 ' HB1' ' HB1' ' A' ' 109' ' ' ALA . . . -89.81 108.96 20.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.2 m -83.33 123.75 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.399 1.062 . . . . 0.0 108.343 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.54 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 14.3 mt-30 -90.81 111.34 22.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.148 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 3.6 t -87.14 111.58 21.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.544 ' C ' HD23 ' A' ' 97' ' ' LEU . . . -161.23 170.81 37.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.4 1.063 . . . . 0.0 111.071 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.874 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -105.87 117.5 34.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 0.729 . . . . 0.0 109.37 179.879 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.419 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 3.7 p -104.61 147.93 27.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.668 ' N ' ' CD2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -44.56 163.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 -179.942 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.9 3.41 22.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.396 1.06 . . . . 0.0 109.231 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.55 ' HB3' ' ND2' ' A' ' 103' ' ' ASN . . . -94.1 -19.19 21.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.615 1.197 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.86 52.22 2.48 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.515 1.134 . . . . 0.0 111.113 -179.871 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.55 ' ND2' ' HB3' ' A' ' 101' ' ' ALA . 6.8 p30 -149.87 164.52 35.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.48 104.36 2.0 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.475 1.109 . . . . 0.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.547 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.0 Cg_endo -75.15 50.66 2.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.449 1.763 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.815 ' O ' H181 ' A' ' 130' ' ' NCZ . 1.6 mt-10 -90.6 126.04 35.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.4 ' C ' ' HB3' ' A' ' 94' ' ' GLN . . . 158.58 145.83 4.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 110' ' ' ILE . 3.6 p -105.58 129.24 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.35 0.676 . . . . 0.0 109.35 179.902 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.964 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . -64.45 81.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.931 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.644 HG23 HD12 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -104.97 141.17 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.625 ' O ' ' C ' ' A' ' 112' ' ' PHE . 2.9 p 150.06 -56.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.625 ' C ' ' O ' ' A' ' 111' ' ' SER . 1.8 m-85 13.56 81.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 t30 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.233 -179.92 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.815 H181 ' O ' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.667 ' HB2' ' H ' ' A' ' 107' ' ' GLY . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.985 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . 71.34 -170.38 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.501 1.125 . . . . 0.0 109.225 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.985 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -75.05 -2.96 13.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.716 HG22 ' C ' ' A' ' 25' ' ' GLY . 42.9 p -50.78 -175.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.892 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -52.13 122.48 8.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.366 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.8 143.58 49.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.039 HG13 ' HB ' ' A' ' 19' ' ' VAL . 4.7 t -83.83 119.35 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.73 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -61.82 -67.84 0.97 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 110.484 179.899 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.813 ' HG2' HG12 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.0 52.81 3.16 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.509 1.794 . . . . 0.0 111.054 179.911 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.437 ' HA ' HD23 ' A' ' 13' ' ' LEU . 8.6 p -87.92 -2.23 58.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.935 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' A' ' 112' ' ' PHE . 11.0 t -85.19 124.52 31.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.99 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 33.07 47.16 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.581 1.176 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.653 HD21 ' N ' ' A' ' 111' ' ' SER . 1.0 OUTLIER -59.85 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.43 0.724 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -136.46 153.14 51.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.007 -179.967 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.476 ' CB ' ' HB3' ' A' ' 72' ' ' SER . 0.6 OUTLIER -63.56 82.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.975 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.52 ' C ' ' CG2' ' A' ' 68' ' ' THR . . . 121.71 32.25 1.04 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 179.916 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.492 ' C ' HG23 ' A' ' 68' ' ' THR . 1.1 m -95.38 130.44 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -73.39 115.84 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.039 ' HB ' HG13 ' A' ' 7' ' ' VAL . 20.7 m -119.85 160.32 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.612 1.195 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -109.43 118.19 36.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.235 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.892 HG12 ' HB1' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -99.92 86.46 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.944 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 64' ' ' SER . . . -120.94 132.72 55.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.512 ' HA3' ' O ' ' A' ' 4' ' ' THR . . . 177.56 -169.28 41.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.526 ' HA ' ' O ' ' A' ' 61' ' ' GLY . . . -145.79 150.05 35.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.348 -179.932 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.716 ' C ' HG22 ' A' ' 4' ' ' THR . . . 117.35 14.04 7.22 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.633 HD12 ' H ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -105.25 -141.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 0.712 . . . . 0.0 109.375 179.986 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.887 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.6 mm100 -53.78 92.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.863 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . . . -59.12 79.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.428 1.08 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 82.51 3.28 90.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.515 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.77 -175.18 4.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 0.747 . . . . 0.0 110.371 -179.998 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.809 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -141.67 114.45 8.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.378 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.634 ' CZ ' ' NE2' ' A' ' 27' ' ' GLN . 4.5 m-30 -116.63 179.14 4.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -96.44 113.88 25.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.175 . . . . 0.0 109.338 -179.93 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.616 HG23 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -80.69 137.89 20.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 -179.88 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.587 ' HA3' ' O ' ' A' ' 51' ' ' ASP . . . 178.44 157.97 20.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.332 1.02 . . . . 0.0 110.997 179.94 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.525 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -92.7 99.38 12.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 0.764 . . . . 0.0 110.214 -179.894 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.646 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 3.3 t -106.23 151.84 24.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.385 1.053 . . . . 0.0 108.404 179.888 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 178.38 155.14 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.425 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 34.3 p90 -57.87 110.86 0.99 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.527 1.142 . . . . 0.0 108.048 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.003 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -97.33 -42.53 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.424 1.078 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.489 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -90.4 -160.63 0.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 42' ' ' THR . 2.2 m -66.45 76.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 0.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.35 14.98 74.71 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.605 1.19 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.721 HG11 HD13 ' A' ' 77' ' ' LEU . 77.9 t -92.38 116.01 32.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.535 0.785 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.526 HD13 H173 ' A' ' 130' ' ' NCZ . 24.5 mt -61.99 102.42 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.003 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -114.53 136.54 52.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.597 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 28.2 m -100.85 156.54 17.31 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 108.306 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.518 ' N ' HD22 ' A' ' 48' ' ' ASN . 1.2 m-80 -84.74 165.68 36.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.602 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.08 -12.69 21.37 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.787 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.7 14.95 26.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.065 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.599 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -89.77 12.35 17.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -107.24 91.34 3.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.971 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.557 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -151.68 86.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.991 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.504 ' O ' HG23 ' A' ' 55' ' ' VAL . 6.4 t -37.26 149.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.913 ' CG2' HG21 ' A' ' 65' ' ' THR . 2.3 t -154.96 147.85 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.924 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.809 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -131.39 132.94 44.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.44 179.933 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.887 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -103.27 141.84 35.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.655 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -60.08 158.99 10.13 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.566 1.166 . . . . 0.0 109.374 179.946 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.52 -33.19 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 109.383 179.926 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' ASP . 34.1 t30 -87.88 34.73 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 42.78 37.19 2.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.64 1.212 . . . . 0.0 111.081 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.432 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -93.1 108.27 19.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 0.793 . . . . 0.0 110.05 179.937 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 5' ' ' ALA . . . -105.28 106.06 16.38 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' A' ' 22' ' ' ALA . 4.1 m -110.85 62.13 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.051 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.913 HG21 ' CG2' ' A' ' 55' ' ' VAL . 35.2 m -110.08 150.14 29.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.1 p -126.94 147.67 50.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.035 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.38 179.45 8.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.52 ' CG2' ' C ' ' A' ' 16' ' ' GLY . 85.4 m -105.27 128.79 53.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.473 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.727 HG11 HG21 ' A' ' 110' ' ' ILE . 19.4 t -86.73 89.38 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.851 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.509 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -86.96 66.61 9.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.353 179.957 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.426 ' HD2' ' CA ' ' A' ' 89' ' ' THR . 21.1 ttp180 -39.18 -37.27 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.476 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 4.7 p -80.88 124.53 29.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 110.047 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.531 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 167.52 171.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 179.978 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.496 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 8.6 tt0 -81.04 122.41 27.28 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.479 1.112 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.73 150.86 40.31 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.416 1.073 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 2.4 t80 -136.02 113.53 10.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.743 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.85 HD21 ' HB2' ' A' ' 83' ' ' TRP . 3.2 mt -55.18 152.93 7.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -80.01 -29.57 39.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.363 1.04 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -48.11 79.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.34 -27.32 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.558 ' HB ' HD12 ' A' ' 77' ' ' LEU . 11.6 m -78.67 163.39 25.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 110.403 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -117.78 146.52 43.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.85 ' HB2' HD21 ' A' ' 77' ' ' LEU . 66.1 t-105 -101.82 -86.96 0.41 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.494 1.121 . . . . 0.0 108.001 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.597 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 135.41 -113.81 1.15 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.732 ' C ' HG23 ' A' ' 86' ' ' VAL . 4.3 m 89.31 -63.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.609 0.829 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.732 HG23 ' C ' ' A' ' 85' ' ' THR . 2.7 t 84.82 -14.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -141.54 96.92 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 14.7 t -82.1 54.18 2.44 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.467 1.104 . . . . 0.0 108.33 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.426 ' CA ' ' HD2' ' A' ' 71' ' ' ARG . 7.0 t -96.34 -13.26 23.41 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.912 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 91' ' ' ALA . 9.8 t -88.36 -54.32 4.25 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.395 1.06 . . . . 0.0 110.506 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.519 ' N ' HG23 ' A' ' 90' ' ' THR . . . -91.79 136.07 33.43 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 179.862 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.425 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -68.43 116.58 9.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.459 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -88.28 126.25 35.08 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.435 1.084 . . . . 0.0 108.264 -179.965 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 29.9 mt-30 -105.98 120.75 42.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.381 1.051 . . . . 0.0 110.235 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.719 HG21 HG12 ' A' ' 110' ' ' ILE . 1.7 t -89.43 111.43 22.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.407 ' C ' H183 ' A' ' 130' ' ' NCZ . . . -157.19 172.93 34.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.713 ' N ' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -106.37 122.26 45.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.449 ' OG ' ' C5 ' ' A' ' 130' ' ' NCZ . 21.4 m -87.91 159.3 18.41 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.561 ' CG ' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.78 166.51 20.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.583 1.177 . . . . 0.0 109.377 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.99 8.29 15.73 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -99.74 -63.61 1.11 Allowed 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.1 40.89 0.07 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.563 1.164 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.431 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 0.4 OUTLIER -151.69 132.5 14.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 0.724 . . . . 0.0 109.388 179.862 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 146.33 73.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.902 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.565 ' HA ' ' C17' ' A' ' 130' ' ' NCZ . 18.5 Cg_endo -75.06 0.03 9.42 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.544 1.813 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.6 ' HG2' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -68.23 138.44 55.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 110.276 -179.949 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.667 ' H ' ' HB2' ' A' ' 1' ' ' ALA . . . -178.9 143.13 5.68 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.418 1.074 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.769 HG13 HD13 ' A' ' 110' ' ' ILE . 2.8 p -68.76 128.97 33.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.574 0.808 . . . . 0.0 109.191 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.6 98.87 0.92 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.935 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.807 HD11 ' CB ' ' A' ' 7' ' ' VAL . 0.6 OUTLIER -84.58 129.9 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.653 ' N ' HD21 ' A' ' 13' ' ' LEU . 1.9 m 150.87 -78.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.371 1.044 . . . . 0.0 110.091 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.485 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 6.8 p90 -146.87 134.36 20.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 111.017 179.921 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 28.0 t30 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.982 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.646 ' C6 ' ' CB ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.617 ' N ' HG21 ' A' ' 108' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 1.011 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -176.53 -60.42 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.397 0 O-C-N 124.459 1.099 . . . . 0.0 109.219 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 1.011 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.1 Cg_endo -75.06 147.32 33.54 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.531 1.806 . . . . 0.0 110.945 -179.889 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.96 ' O ' HG23 ' A' ' 6' ' ' THR . 19.2 p 40.11 -154.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.518 ' HA ' ' CA ' ' A' ' 23' ' ' GLY . . . -45.74 132.69 8.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.96 HG23 ' O ' ' A' ' 4' ' ' THR . 50.4 p -139.47 166.57 24.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 110.351 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.634 HG13 ' HD2' ' A' ' 9' ' ' PRO . 2.5 t -120.08 121.55 66.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.232 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.717 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -32.74 -67.66 0.18 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.473 179.907 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.966 ' HG3' HG11 ' A' ' 19' ' ' VAL . 18.6 Cg_endo -74.87 -162.0 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 179.913 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -139.45 -43.19 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.923 -179.974 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 111' ' ' SER . 58.3 m -64.43 73.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 10' ' ' SER . . . -49.65 -32.1 16.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -76.45 69.26 2.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.665 ' O ' ' C ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -132.41 78.84 1.83 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.501 1.126 . . . . 0.0 109.871 -179.932 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.665 ' C ' ' O ' ' A' ' 14' ' ' SER . 10.4 p-10 15.88 63.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.49 ' O ' ' CG2' ' A' ' 68' ' ' THR . . . 52.59 69.47 1.18 Allowed Glycine 0 CA--C 1.532 1.153 0 O-C-N 124.582 1.176 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.506 HG22 HG12 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -71.69 136.77 47.39 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.668 0.864 . . . . 0.0 110.324 -179.928 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.786 HG22 HG23 ' A' ' 68' ' ' THR . 1.8 t -104.01 119.61 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.966 HG11 ' HG3' ' A' ' 9' ' ' PRO . 5.1 m -144.64 -166.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.617 1.198 . . . . 0.0 109.307 179.914 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.64 141.64 35.69 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.61 ' HA ' ' O ' ' A' ' 6' ' ' THR . 10.5 t -113.18 85.31 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.4 129.9 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.518 ' CA ' ' HA ' ' A' ' 5' ' ' ALA . . . -121.29 122.08 5.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.68 101.44 12.62 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.594 0.82 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.536 ' O ' ' O ' ' A' ' 26' ' ' LEU . . . 96.57 38.16 4.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.414 1.071 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.964 HD13 ' HB3' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -56.88 -140.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.752 . . . . 0.0 109.215 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.586 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 8.4 tp-100 -82.38 40.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 74.93 -9.7 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 109.241 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.746 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 120.47 8.16 8.58 Favored Glycine 0 CA--C 1.527 0.804 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.66 HG22 ' H ' ' A' ' 31' ' ' ALA . 4.3 m -60.35 -152.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.373 0.69 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.66 ' H ' HG22 ' A' ' 30' ' ' THR . . . -137.57 136.91 38.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.909 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 5.6 m-30 -150.68 -178.52 6.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 24.6 t70 -102.1 111.25 23.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.602 1.189 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.784 HG23 HD23 ' A' ' 97' ' ' LEU . 1.1 t -76.12 143.08 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 0.0 109.351 179.917 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.616 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 168.92 161.21 18.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.515 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -95.06 103.43 15.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 0.711 . . . . 0.0 110.271 179.905 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.611 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 3.6 t -107.16 154.42 21.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.618 1.199 . . . . 0.0 108.358 179.844 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.491 ' HB1' ' O ' ' A' ' 92' ' ' ALA . . . 176.19 159.65 0.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.497 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 21.4 p-90 -59.07 98.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.995 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -82.75 -47.61 18.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.704 ' HB2' HD11 ' A' ' 77' ' ' LEU . 7.7 t0 -91.02 -150.21 0.23 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.147 . . . . 0.0 109.357 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.5 m -77.34 88.84 3.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 179.944 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.59 24.27 63.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.89 ' CG1' HD12 ' A' ' 77' ' ' LEU . 47.6 t -103.75 100.99 11.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.523 0.779 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.883 HD13 ' H14' ' A' ' 130' ' ' NCZ . 1.5 mt -56.79 87.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.995 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . . . -100.13 153.1 19.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.869 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.605 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 3.8 m -113.62 151.36 31.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 108.326 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.545 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -75.86 170.12 17.4 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.59 1.181 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.638 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.91 -11.28 21.65 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.521 1.801 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.23 14.22 25.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.616 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -89.22 8.31 30.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.638 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -107.45 94.86 5.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.641 1.213 . . . . 0.0 111.08 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.851 ' CB ' HD11 ' A' ' 67' ' ' LEU . 4.4 t -150.9 85.76 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.896 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -48.88 142.43 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.632 1.207 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.797 HG21 ' HB ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -164.69 173.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.611 1.194 . . . . 0.0 109.27 179.958 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.646 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -145.07 158.28 43.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 179.988 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.862 ' HB2' HD22 ' A' ' 26' ' ' LEU . . . -104.93 149.59 25.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.376 1.048 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.9 OUTLIER -68.24 159.26 31.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.61 -37.39 0.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.378 -179.956 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -87.34 38.39 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.334 1.021 . . . . 0.0 109.228 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.38 41.0 2.87 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.492 1.12 . . . . 0.0 110.867 179.872 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 53.5 m -103.96 98.3 8.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.964 ' HB3' HD13 ' A' ' 26' ' ' LEU . . . -104.33 96.63 6.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 p -106.11 77.78 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.797 ' HB ' HG21 ' A' ' 55' ' ' VAL . 5.7 t -108.38 130.53 55.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.284 -179.924 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.0 p -91.68 131.81 36.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.064 . . . . 0.0 110.079 179.877 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.851 HD11 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -149.41 179.79 7.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 -179.957 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.786 HG23 HG22 ' A' ' 18' ' ' VAL . 22.8 m -105.91 132.15 52.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.421 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 69' ' ' VAL . 7.7 p -89.95 85.44 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -92.83 118.34 31.0 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.364 1.04 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.684 ' HD2' HG22 ' A' ' 89' ' ' THR . 42.1 ttp180 -90.04 -33.93 16.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.582 1.176 . . . . 0.0 110.386 179.956 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.561 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 83.3 p -96.08 114.98 26.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.609 1.193 . . . . 0.0 109.96 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -177.86 165.96 2.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.545 1.153 . . . . 0.0 110.885 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.427 ' OE2' ' CA ' ' A' ' 84' ' ' GLY . 0.8 OUTLIER -81.11 110.27 16.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.605 1.191 . . . . 0.0 110.227 -179.951 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.45 ' HA3' HG21 ' A' ' 40' ' ' VAL . . . -80.22 161.82 45.53 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.602 1.189 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 42.7 m-85 -130.37 133.28 46.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 111.041 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.89 HD12 ' CG1' ' A' ' 44' ' ' VAL . 1.1 mm? -71.27 138.71 49.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.391 1.057 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.69 -25.78 65.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 179.891 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -52.93 -53.7 45.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.629 1.205 . . . . 0.0 109.345 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.36 -26.43 0.35 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.2 m -84.24 166.53 17.44 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.577 0.81 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 3.8 ptp180 -110.02 141.48 42.77 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.583 1.177 . . . . 0.0 110.192 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.864 ' HB2' HD21 ' A' ' 77' ' ' LEU . 37.7 t-105 -103.37 -89.98 0.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.487 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 148.38 -77.64 0.24 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.434 1.084 . . . . 0.0 111.079 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.814 ' CB ' HG22 ' A' ' 40' ' ' VAL . 7.5 m 67.7 -55.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 0.0 110.369 179.901 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.562 HG12 ' N ' ' A' ' 87' ' ' ASP . 88.7 t 71.68 -104.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.562 ' N ' HG12 ' A' ' 86' ' ' VAL . 1.1 t0 -59.07 91.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.401 179.93 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 91' ' ' ALA . 52.6 t -75.57 59.85 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 108.277 -179.9 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.684 HG22 ' HD2' ' A' ' 71' ' ' ARG . 54.8 p -102.81 -15.92 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 -179.931 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.534 HG23 ' N ' ' A' ' 91' ' ' ALA . 9.1 t -88.96 -55.06 3.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.432 179.909 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.534 ' N ' HG23 ' A' ' 90' ' ' THR . . . -91.42 135.5 33.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.491 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -72.43 118.71 15.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.344 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.46 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -90.64 121.98 33.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 0.0 108.267 179.927 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.503 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 3.3 pt20 -103.15 122.13 44.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.515 HG22 ' HG2' ' A' ' 36' ' ' GLN . 1.9 t -87.86 114.34 26.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.523 ' C ' H183 ' A' ' 130' ' ' NCZ . . . -164.6 179.15 39.5 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.572 1.17 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.784 HD23 HG23 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -106.45 125.9 51.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 0.72 . . . . 0.0 109.34 179.919 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 99.1 p -85.12 154.23 22.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.598 1.186 . . . . 0.0 109.961 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.594 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -88.82 162.35 16.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.97 14.34 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.93 -84.84 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.422 ' C ' ' ND2' ' A' ' 103' ' ' ASN . . . 174.15 47.54 0.05 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.422 ' ND2' ' C ' ' A' ' 102' ' ' GLY . 0.3 OUTLIER -137.33 157.38 46.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.43 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -136.91 62.03 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.444 1.09 . . . . 0.0 111.062 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.5 Cg_endo -74.86 -37.89 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.438 ' HG2' ' CD1' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -85.53 147.53 26.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.227 -179.868 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.95 119.7 2.09 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.617 HG21 ' N ' ' A' ' 1' ' ' ALA . 8.5 p -106.18 122.45 59.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.78 88.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.921 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.514 ' O ' ' CB ' ' A' ' 111' ' ' SER . 2.4 tp -92.1 160.24 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 0.5 OUTLIER 158.12 -60.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 109.953 179.985 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.484 ' O ' ' CG ' ' A' ' 112' ' ' PHE . 34.8 p90 -144.33 117.07 8.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.475 ' CA ' ' HB3' ' A' ' 10' ' ' SER . 48.1 p-10 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.634 1.209 . . . . 0.0 109.218 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.883 ' H14' HD13 ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.707 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.769 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . 162.23 -51.46 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.924 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.769 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.4 Cg_endo -74.98 116.92 4.73 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.77 ' HB ' HD23 ' A' ' 26' ' ' LEU . 1.2 p 45.43 -170.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.455 179.944 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.406 ' N ' ' HA2' ' A' ' 23' ' ' GLY . . . -65.26 111.01 2.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.098 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.404 HG22 HG21 ' A' ' 108' ' ' VAL . 1.0 OUTLIER -149.13 146.96 27.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 110.431 -179.958 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.895 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.0 t -74.43 135.74 26.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.479 1.112 . . . . 0.0 109.214 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.545 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -41.93 -59.37 2.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.402 179.967 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.015 ' HG3' HG11 ' A' ' 19' ' ' VAL . 18.0 Cg_endo -74.92 -160.34 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.534 1.808 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 111' ' ' SER . 0.6 OUTLIER -137.99 -45.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.456 ' HA ' ' HB3' ' A' ' 111' ' ' SER . 0.5 OUTLIER -71.72 59.81 0.34 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.447 1.092 . . . . 0.0 110.019 179.966 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -46.31 -29.06 3.52 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.62 1.2 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.913 HD23 ' O ' ' A' ' 111' ' ' SER . 2.2 pp -59.93 77.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.569 0.805 . . . . 0.0 109.346 179.915 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.573 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -150.33 130.26 13.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 110.106 -179.983 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -35.84 92.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 38.73 67.26 0.57 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.504 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.3 OUTLIER -70.78 123.33 21.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.741 . . . . 0.0 110.363 179.976 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -92.53 115.94 32.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.015 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -142.32 -171.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.403 1.065 . . . . 0.0 109.309 179.943 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 6.9 pttt -115.3 132.54 56.58 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.647 1.217 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -106.66 104.84 17.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.936 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -87.43 131.11 34.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.224 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 61' ' ' GLY . . . -118.81 75.44 0.3 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -79.25 130.22 35.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.403 0.707 . . . . 0.0 109.246 -179.916 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 55.5 35.72 62.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.588 1.18 . . . . 0.0 111.057 -179.951 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.77 HD23 ' HB ' ' A' ' 4' ' ' THR . 3.3 tm? -106.65 -96.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.75 HE21 HD12 ' A' ' 97' ' ' LEU . 1.3 tp-100 -47.89 -22.15 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.618 1.199 . . . . 0.0 110.393 179.951 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 74.53 -2.27 2.86 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.368 1.043 . . . . 0.0 109.41 -179.92 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 120.69 -2.91 12.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.418 1.074 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.518 HG22 ' H ' ' A' ' 31' ' ' ALA . 1.7 m -67.44 -155.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 0.815 . . . . 0.0 110.436 -179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.527 ' CB ' ' OG1' ' A' ' 56' ' ' THR . . . -138.9 114.81 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.392 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.627 ' CD1' ' CG ' ' A' ' 27' ' ' GLN . 8.4 m-85 -131.11 152.5 50.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.549 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 1.2 t70 -96.66 128.49 43.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.584 HG23 ' CD2' ' A' ' 97' ' ' LEU . 2.2 p -76.58 141.73 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.653 1.221 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.461 ' O ' H182 ' A' ' 130' ' ' NCZ . . . 178.95 109.79 0.26 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.42 1.075 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.612 HE21 ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -60.85 102.98 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.576 ' HB2' ' C6 ' ' A' ' 130' ' ' NCZ . 0.5 OUTLIER -104.66 152.32 22.62 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.523 1.139 . . . . 0.0 108.271 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.487 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 177.62 157.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.382 1.051 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.541 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 34.6 p-90 -61.86 85.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.051 HG22 ' CG2' ' A' ' 85' ' ' THR . 0.3 OUTLIER -77.52 -48.15 24.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.489 1.118 . . . . 0.0 109.194 -179.91 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.551 ' HB3' HG23 ' A' ' 44' ' ' VAL . 6.0 t0 -74.36 -151.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.935 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.722 ' O ' HG23 ' A' ' 42' ' ' THR . 12.0 t -84.97 60.66 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 110.459 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.66 10.37 53.21 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.785 HG11 HD23 ' A' ' 77' ' ' LEU . 2.8 t -97.71 114.33 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.482 HD11 H173 ' A' ' 130' ' ' NCZ . 0.4 OUTLIER -67.32 89.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.615 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . . . -95.93 140.48 30.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.552 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 31.4 m -97.82 153.24 18.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.609 1.193 . . . . 0.0 108.299 179.938 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.612 ' CB ' HE21 ' A' ' 36' ' ' GLN . 1.9 m-80 -94.03 122.45 61.82 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.421 179.958 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.495 ' CD ' ' O ' ' A' ' 74' ' ' GLU . 18.1 Cg_endo -74.93 6.25 3.47 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.549 1.815 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.77 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . . . -105.72 4.14 29.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.213 179.99 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.553 ' HB2' ' CD ' ' A' ' 36' ' ' GLN . 14.1 t70 -127.07 15.34 7.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 2.9 m-85 -82.73 111.53 18.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 111.062 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.476 ' HB3' HG12 ' A' ' 34' ' ' VAL . 4.7 t -153.01 99.13 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.92 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.549 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 63.4 p -58.8 132.15 53.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 110.048 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.611 HG21 ' OG1' ' A' ' 65' ' ' THR . 47.3 t -152.45 164.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.241 -179.904 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.527 ' OG1' ' CB ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -130.72 162.8 28.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 1.017 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . . . -107.55 154.01 22.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.24 179.958 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -77.34 159.06 29.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.612 1.195 . . . . 0.0 109.327 -179.902 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.94 -27.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.934 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.464 ' N ' ' C ' ' A' ' 58' ' ' ASP . 1.4 t-20 -88.1 32.25 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.648 1.217 . . . . 0.0 109.359 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 43.05 44.23 5.78 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.463 1.102 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -110.53 101.64 10.3 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.535 0.785 . . . . 0.0 110.011 -179.991 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 1.017 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . . . -105.52 93.9 4.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.8 p -94.9 87.71 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 110.047 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.624 HG21 HD22 ' A' ' 97' ' ' LEU . 14.4 t -105.85 119.3 38.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.38 1.05 . . . . 0.0 110.44 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 6.2 p -102.95 136.4 42.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.884 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.761 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -168.25 179.94 4.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.416 1.072 . . . . 0.0 109.254 179.926 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.761 ' H ' HD13 ' A' ' 67' ' ' LEU . 12.5 t -102.04 139.39 37.73 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.601 1.188 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 17' ' ' THR . 3.4 p -88.04 88.48 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.581 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -88.79 101.04 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.24 -179.919 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 88' ' ' CYS . 5.7 ttm-85 -81.18 -24.17 37.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 62.0 p -95.26 106.08 18.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.77 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER 175.43 170.49 0.33 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.566 1.166 . . . . 0.0 111.077 -179.964 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.495 ' O ' ' CD ' ' A' ' 49' ' ' PRO . 3.4 tt0 -79.27 128.23 33.05 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.629 1.206 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.37 160.11 41.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -118.11 103.6 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 0.795 . . . . 0.0 110.893 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.785 HD23 HG11 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -83.9 175.95 9.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.405 1.066 . . . . 0.0 109.359 179.897 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -90.21 -33.49 16.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.398 1.061 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -97.34 -24.23 15.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 -179.974 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.547 ' O ' ' C ' ' A' ' 81' ' ' THR . . . -142.75 58.36 0.55 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.58 1.175 . . . . 0.0 111.047 179.881 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.653 HG23 ' H ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -25.49 -93.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 110.429 -179.904 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.653 ' H ' HG23 ' A' ' 81' ' ' THR . 3.9 ptm180 -53.2 84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.599 ' CB ' HD13 ' A' ' 77' ' ' LEU . 14.4 t-105 -96.46 -87.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 107.971 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 85' ' ' THR . . . 161.41 -114.14 0.6 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.582 1.176 . . . . 0.0 111.055 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 1.051 ' CG2' HG22 ' A' ' 40' ' ' VAL . 6.7 m 83.55 -57.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.453 0.737 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 87' ' ' ASP . 96.1 t 70.86 -103.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.557 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -66.01 105.79 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.392 1.057 . . . . 0.0 109.385 179.939 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.512 ' O ' ' CD ' ' A' ' 71' ' ' ARG . 4.0 t -89.59 64.39 6.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 108.405 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.79 -8.3 19.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.855 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.5 m -89.3 -56.9 3.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.272 0.982 . . . . 0.0 110.376 -179.947 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -91.5 139.09 31.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.561 1.163 . . . . 0.0 109.37 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.604 ' HA ' ' CD1' ' A' ' 112' ' ' PHE . . . -70.83 114.73 9.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.931 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.487 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -84.72 125.09 32.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 108.26 179.982 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.4 pt20 -104.93 119.17 38.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.529 HG22 ' HB3' ' A' ' 36' ' ' GLN . 3.4 t -89.05 129.59 39.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.491 ' C ' HD23 ' A' ' 97' ' ' LEU . . . -171.75 173.48 45.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.395 1.059 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.75 HD12 HE21 ' A' ' 27' ' ' GLN . 0.1 OUTLIER -103.27 124.78 49.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.434 0.726 . . . . 0.0 109.236 -179.952 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.457 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 27.7 p -105.12 162.85 13.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.491 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -95.27 161.27 14.17 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.554 1.159 . . . . 0.0 109.19 -179.939 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.87 16.56 7.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.482 ' HB3' ' OD1' ' A' ' 103' ' ' ASN . . . -105.96 -24.94 12.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.28 54.15 2.04 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.596 1.185 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.482 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 17.4 m120 -116.47 148.09 41.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.586 0.816 . . . . 0.0 109.284 -179.921 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -36.22 98.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.055 179.894 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.567 ' HG2' ' C1 ' ' A' ' 130' ' ' NCZ . 18.5 Cg_endo -74.99 140.1 25.1 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.792 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.504 ' CB ' HD21 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -91.12 114.86 27.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.98 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -137.32 150.29 20.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.572 1.17 . . . . 0.0 110.948 -179.891 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 1.6 p -104.71 131.58 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.391 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.6 97.74 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.379 1.05 . . . . 0.0 109.215 -179.911 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 112' ' ' PHE . 6.6 tp -69.17 157.41 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.913 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -63.5 68.34 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.471 1.107 . . . . 0.0 110.062 179.905 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.604 ' CD1' ' HA ' ' A' ' 92' ' ' ALA . 55.1 p90 -52.55 142.8 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 111.075 -180.0 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 112' ' ' PHE . 8.0 m-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.576 ' C6 ' ' HB2' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -157.23 67.47 4.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.617 1.198 . . . . 0.0 109.338 -179.93 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.433 ' C ' HG23 ' A' ' 4' ' ' THR . 18.1 Cg_endo -74.91 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 -179.921 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.511 ' C ' ' HA2' ' A' ' 23' ' ' GLY . 1.3 p 53.33 -159.11 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.447 ' HB2' HD22 ' A' ' 26' ' ' LEU . . . -69.84 125.57 27.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.401 ' HA ' ' HB ' ' A' ' 108' ' ' VAL . 1.2 p -150.46 146.73 26.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.35 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.728 HG13 HG21 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -75.59 130.66 35.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.378 179.935 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.819 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -37.37 -73.09 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.362 -179.959 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.819 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.87 -98.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.412 1.743 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 7.6 m -154.91 -26.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.89 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.543 ' CB ' HG21 ' A' ' 69' ' ' VAL . 1.2 m 49.01 -175.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.52 ' HA3' HG23 ' A' ' 110' ' ' ILE . . . 86.34 -43.49 3.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.427 1.079 . . . . 0.0 110.973 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.755 HD22 ' HA ' ' A' ' 113' ' ' ASN . 1.0 OUTLIER -44.56 -32.63 1.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 0.783 . . . . 0.0 109.387 -179.969 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.4 t -132.03 122.78 26.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.656 1.222 . . . . 0.0 110.024 179.909 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.435 ' C ' ' HA ' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -65.31 63.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 160.09 32.45 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.563 1.165 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 m -89.44 110.17 21.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 0.721 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 t -90.0 119.11 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.217 -179.955 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.728 HG21 HG13 ' A' ' 7' ' ' VAL . 34.5 m -138.22 -177.99 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.919 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -103.41 130.77 50.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.483 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.5 t -107.38 98.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.232 -179.919 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.55 131.36 36.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.511 ' HA2' ' C ' ' A' ' 4' ' ' THR . . . -116.76 98.49 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.339 1.025 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -88.24 108.48 19.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.78 . . . . 0.0 109.238 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.39 34.39 45.53 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.51 1.131 . . . . 0.0 111.071 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.058 HD21 HD11 ' A' ' 97' ' ' LEU . 4.6 tp -61.52 -120.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.584 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 1.3 tp60 -79.89 24.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . 76.3 -11.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 179.874 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.684 ' HA2' ' HB3' ' A' ' 57' ' ' ALA . . . 129.62 -2.26 6.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 -179.91 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.488 HG22 ' H ' ' A' ' 31' ' ' ALA . 1.5 m -59.05 -156.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 0.709 . . . . 0.0 110.347 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.488 ' H ' HG22 ' A' ' 30' ' ' THR . . . -131.49 144.31 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 109.427 179.801 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.972 ' OH ' HD23 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -151.61 -173.02 4.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.939 -179.951 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.509 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 22.2 t0 -106.7 108.5 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.918 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.654 HG23 ' HB3' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -79.68 142.08 14.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.927 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.614 ' HA3' ' CA ' ' A' ' 51' ' ' ASP . . . 167.28 161.01 15.59 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.6 ' HG2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -95.04 102.03 13.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 0.787 . . . . 0.0 110.259 -179.995 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.642 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 3.8 t -107.06 154.71 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 108.338 179.908 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.48 ' CB ' ' HA ' ' A' ' 93' ' ' CYS . . . 179.03 164.69 0.88 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.921 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.405 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 56.1 p-90 -72.55 115.08 11.39 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.914 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.718 HG13 ' CD1' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -99.9 -47.43 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.183 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.614 ' OD2' ' CE3' ' A' ' 83' ' ' TRP . 0.2 OUTLIER -87.49 -165.35 1.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.949 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 44' ' ' VAL . 21.8 m -59.35 87.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.43 20.83 31.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.556 1.16 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.635 HG11 HD13 ' A' ' 77' ' ' LEU . 61.4 t -95.72 116.41 37.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.79 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.9 108.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.818 ' HB2' HD23 ' A' ' 77' ' ' LEU . . . -121.26 134.66 55.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.575 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 34.1 m -99.34 155.92 17.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 108.233 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 73' ' ' PHE . 1.5 m120 -83.75 167.61 27.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.4 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.66 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.03 -12.41 21.45 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.451 1.764 . . . . 0.0 111.059 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.13 13.72 27.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.604 1.19 . . . . 0.0 109.223 179.991 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.614 ' CA ' ' HA3' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -89.62 7.26 37.42 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.574 1.171 . . . . 0.0 109.366 179.869 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.66 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.7 m-85 -106.51 91.51 3.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.429 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -149.58 90.86 1.75 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.528 1.142 . . . . 0.0 109.97 -179.911 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.0 p -48.64 121.63 4.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.735 HG12 ' HE1' ' A' ' 32' ' ' TYR . 19.0 t -136.75 149.47 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.207 179.956 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.472 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -130.35 157.95 41.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.367 -179.926 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.684 ' HB3' ' HA2' ' A' ' 29' ' ' GLY . . . -105.5 148.25 27.42 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.639 ' O ' ' N ' ' A' ' 61' ' ' GLY . 1.4 m-20 -64.28 161.37 16.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.89 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -38.78 -37.71 0.36 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.498 1.123 . . . . 0.0 109.37 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -88.08 37.39 0.81 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.417 1.073 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 41.28 43.01 3.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -108.98 102.66 11.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.897 -179.885 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.587 ' HB2' ' OH ' ' A' ' 32' ' ' TYR . . . -105.76 93.84 4.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.23 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.9 p -102.27 71.89 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 179.964 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.599 HG21 HG22 ' A' ' 55' ' ' VAL . 85.7 m -109.14 136.27 48.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.2 p -98.47 135.71 39.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.079 -179.973 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.31 170.01 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.446 HG21 ' NH1' ' A' ' 70' ' ' ARG . 9.7 t -102.67 123.84 47.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 110.414 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.675 ' CG1' HG21 ' A' ' 110' ' ' ILE . 46.0 t -89.19 89.29 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 109.212 -179.901 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.685 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 2.9 mtt85 -98.28 74.69 2.22 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.573 1.17 . . . . 0.0 110.29 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.539 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -38.06 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.978 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.502 ' C ' ' CG ' ' A' ' 73' ' ' PHE . 3.2 m -89.42 136.2 33.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.073 179.908 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.685 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 162.87 178.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.06 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.613 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 30.4 tt0 -93.25 105.51 17.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.388 1.055 . . . . 0.0 110.282 -179.852 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.76 161.57 48.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.577 1.173 . . . . 0.0 111.081 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.613 ' CE2' ' O ' ' A' ' 74' ' ' GLU . 10.8 m-85 -142.19 131.81 23.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 0.717 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.138 HD12 HG23 ' A' ' 81' ' ' THR . 21.2 mt -69.8 148.52 49.01 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -76.12 -24.27 54.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.67 -50.23 68.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.263 -179.863 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.76 -25.07 0.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 1.138 HG23 HD12 ' A' ' 77' ' ' LEU . 2.5 t -87.46 154.77 20.38 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.551 0.795 . . . . 0.0 110.463 179.889 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.57 148.16 26.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.397 1.061 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.718 ' CD1' HG13 ' A' ' 40' ' ' VAL . 41.4 t-105 -106.43 -85.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 108.002 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.503 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 127.3 -74.58 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.945 ' O ' HG22 ' A' ' 86' ' ' VAL . 1.6 m 68.29 -59.21 0.45 Allowed 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.456 0.739 . . . . 0.0 110.472 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.945 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 82.6 -24.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.389 1.056 . . . . 0.0 109.175 179.85 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.757 ' H ' HG22 ' A' ' 85' ' ' THR . 13.2 t0 -144.25 105.8 4.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.959 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' A' ' 88' ' ' CYS . 7.8 t -91.22 50.6 1.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 108.291 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.8 m -89.29 -16.09 31.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.447 179.977 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.4 m -87.03 -52.05 5.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.382 1.051 . . . . 0.0 110.538 179.841 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.431 ' O ' ' SG ' ' A' ' 88' ' ' CYS . . . -90.44 144.04 26.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.51 111.38 13.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 179.934 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.48 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -84.83 123.48 30.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 108.319 179.959 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 6.0 mt-30 -99.83 120.84 40.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.6 HG22 ' HG2' ' A' ' 36' ' ' GLN . 5.3 t -89.26 109.32 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.921 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . -161.71 178.72 37.47 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.643 1.215 . . . . 0.0 111.052 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.058 HD11 HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -106.57 148.1 28.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.935 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.6 p -103.68 149.05 25.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.092 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.62 164.15 18.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.222 -179.819 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.08 23.29 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.1 -40.75 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 -179.933 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.471 ' C ' ' ND2' ' A' ' 103' ' ' ASN . . . 123.86 46.52 0.26 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.425 1.078 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.471 ' ND2' ' C ' ' A' ' 102' ' ' GLY . 0.2 OUTLIER -143.47 153.78 42.98 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.572 0.807 . . . . 0.0 109.284 179.915 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.476 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -139.75 59.76 0.58 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.431 1.082 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.6 Cg_endo -74.91 -22.64 14.8 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.437 1.756 . . . . 0.0 111.007 179.913 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.588 ' HG2' HD11 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -86.95 152.06 22.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.398 179.923 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 144.72 115.6 1.01 Allowed Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.715 HG11 ' H ' ' A' ' 7' ' ' VAL . 8.2 p -82.48 132.99 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.397 0.704 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.26 92.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.675 HG21 ' CG1' ' A' ' 69' ' ' VAL . 0.9 OUTLIER -76.73 146.45 8.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.377 1.048 . . . . 0.0 109.379 179.945 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 110' ' ' ILE . 1.2 m 152.83 -76.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.087 -179.883 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.521 ' O ' ' O ' ' A' ' 111' ' ' SER . 8.5 m-85 -42.32 173.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.585 1.178 . . . . 0.0 111.049 179.913 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.755 ' HA ' HD22 ' A' ' 13' ' ' LEU . 8.3 p-10 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.641 1.213 . . . . 0.0 109.363 179.907 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.642 ' C6 ' ' CB ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.84 65.27 7.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.459 ' C ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.93 -67.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.459 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.9 p 57.93 -169.49 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 110.415 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.523 ' HB2' HD13 ' A' ' 26' ' ' LEU . . . -55.83 104.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.45 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.426 HG22 ' CG2' ' A' ' 108' ' ' VAL . 1.1 p -140.17 148.79 42.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.178 . . . . 0.0 110.438 -179.904 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.744 HG13 HG21 ' A' ' 19' ' ' VAL . 3.6 t -80.57 126.57 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.796 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -30.95 -71.33 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 -179.96 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.913 ' CG ' HG11 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.0 -162.65 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 110.947 -179.907 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.449 ' O ' HD13 ' A' ' 110' ' ' ILE . 78.7 p -132.64 -45.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.872 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 111' ' ' SER . 3.4 m -69.72 62.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.371 1.045 . . . . 0.0 110.065 179.937 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.495 ' HA3' HG23 ' A' ' 110' ' ' ILE . . . -58.16 -12.33 11.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.586 1.179 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.88 ' O ' HD12 ' A' ' 13' ' ' LEU . 3.9 pp -69.0 59.07 0.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.508 0.77 . . . . 0.0 109.193 -179.876 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -131.26 123.11 27.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 109.933 -179.955 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 14' ' ' SER . 4.9 m-20 -33.12 93.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 45.54 69.29 0.81 Allowed Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.605 1.19 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.476 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -78.55 125.43 29.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 0.811 . . . . 0.0 110.429 179.947 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.558 HG13 ' OG1' ' A' ' 68' ' ' THR . 0.5 OUTLIER -91.05 117.11 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.913 HG11 ' CG ' ' A' ' 9' ' ' PRO . 7.6 m -139.87 -176.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.225 -179.935 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -117.32 130.49 56.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.398 179.97 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.463 HG22 HG22 ' A' ' 7' ' ' VAL . 67.9 t -100.35 102.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.387 1.054 . . . . 0.0 109.313 -179.923 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.13 124.51 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.918 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.488 ' HA2' ' N ' ' A' ' 5' ' ' ALA . . . -110.68 67.71 0.22 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.606 1.191 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.57 131.67 41.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . 70.97 18.27 76.17 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.495 1.122 . . . . 0.0 111.06 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.523 HD13 ' HB2' ' A' ' 5' ' ' ALA . 1.4 tp -74.43 -145.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.443 0.731 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.518 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 2.9 mm100 -89.89 78.14 6.85 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.436 1.085 . . . . 0.0 110.175 -179.937 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.706 ' HB2' ' CA ' ' A' ' 61' ' ' GLY . . . -59.36 133.48 56.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.622 1.201 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.93 -26.84 8.93 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.936 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.433 ' O ' ' OG1' ' A' ' 56' ' ' THR . 0.1 OUTLIER -89.83 -179.19 5.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.429 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.861 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -153.83 146.47 24.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.382 1.051 . . . . 0.0 109.361 179.929 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 16.6 m-85 -149.51 178.48 8.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 14.7 t0 -105.66 118.53 36.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.782 HG21 HG21 ' A' ' 65' ' ' THR . 1.5 t -81.2 146.58 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.627 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 177.86 162.39 27.76 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.882 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -94.21 88.89 5.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 0.731 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.57 ' CB ' ' C6 ' ' A' ' 130' ' ' NCZ . 5.3 t -105.74 152.79 22.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.391 1.057 . . . . 0.0 108.195 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -178.39 170.13 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.395 179.953 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -86.72 115.22 24.03 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.023 HG21 ' CZ2' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -102.61 -49.77 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.505 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -85.03 -176.77 6.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.405 1.066 . . . . 0.0 109.267 -179.977 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 44' ' ' VAL . 21.2 m -48.66 93.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.383 179.935 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 50.36 20.2 3.44 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.719 HG11 HD13 ' A' ' 77' ' ' LEU . 88.4 t -91.86 112.13 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.366 0.686 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.768 HD13 ' H14' ' A' ' 130' ' ' NCZ . 0.3 OUTLIER -77.44 103.72 7.54 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.521 1.138 . . . . 0.0 109.208 -179.931 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.648 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . . . -115.07 142.65 46.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.55 ' SG ' ' C9 ' ' A' ' 130' ' ' NCZ . 3.3 m -107.81 147.57 30.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.611 1.194 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.503 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -79.37 172.65 9.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.383 179.958 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.549 ' CD ' ' HB3' ' A' ' 73' ' ' PHE . 18.2 Cg_endo -74.93 -15.91 20.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.27 15.2 28.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.978 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.627 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.1 t70 -90.26 15.49 10.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 12.8 m-85 -109.68 102.29 11.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.567 1.167 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.41 ' HB3' HG12 ' A' ' 34' ' ' VAL . 7.9 t -148.68 79.29 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.027 179.956 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.447 ' N ' ' OD2' ' A' ' 33' ' ' ASP . 99.6 p -55.76 126.37 25.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.936 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.753 HG21 ' HB ' ' A' ' 65' ' ' THR . 9.7 p -154.43 172.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.07 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.861 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -139.22 168.5 19.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.375 -179.964 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -105.54 129.4 53.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.416 1.072 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -66.43 154.31 40.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -40.33 -29.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.252 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.439 ' N ' ' C ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -87.33 32.8 0.69 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.942 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.706 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . . . 39.4 43.14 2.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 111.059 -179.917 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.465 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -115.76 105.76 13.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.538 0.787 . . . . 0.0 109.97 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.427 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . . . -106.14 81.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.951 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.3 p -91.46 87.7 6.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.587 1.179 . . . . 0.0 110.06 179.914 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.782 HG21 HG21 ' A' ' 34' ' ' VAL . 1.9 t -108.15 125.38 51.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.4 p -88.7 134.13 34.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.4 1.063 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.857 HD13 ' H ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -153.86 168.41 26.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.573 1.17 . . . . 0.0 109.309 -179.938 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.857 ' H ' HD13 ' A' ' 67' ' ' LEU . 63.8 m -106.6 140.88 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 179.956 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' THR . 39.2 t -88.74 80.05 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -88.25 63.33 7.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 28.4 ttp180 -43.63 -29.43 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 110.305 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -96.42 128.22 43.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 110.064 179.97 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.549 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 162.21 172.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.568 1.167 . . . . 0.0 110.973 -179.964 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.505 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 15.1 tt0 -85.62 115.58 23.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.388 1.055 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.63 ' C ' ' HB3' ' A' ' 83' ' ' TRP . . . -90.16 177.7 42.94 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.631 1.207 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.482 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 6.0 m-85 -146.92 149.49 33.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.59 0.817 . . . . 0.0 111.099 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.029 HD12 ' HB ' ' A' ' 81' ' ' THR . 12.6 mt -90.41 157.31 17.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -90.75 -23.92 20.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.072 -179.968 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -63.53 -49.72 72.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.9 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.81 -28.0 0.22 Allowed Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.441 1.088 . . . . 0.0 111.046 -179.952 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 1.029 ' HB ' HD12 ' A' ' 77' ' ' LEU . 57.5 m -75.52 172.3 12.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.61 0.829 . . . . 0.0 110.475 179.95 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.511 ' N ' HG22 ' A' ' 81' ' ' THR . 0.0 OUTLIER -106.12 157.51 17.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 1.023 ' CZ2' HG21 ' A' ' 40' ' ' VAL . 2.8 t90 -103.85 -89.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 108.084 179.909 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.705 ' O ' ' HB ' ' A' ' 85' ' ' THR . . . 96.57 -112.33 4.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.046 179.97 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.923 HG22 ' H ' ' A' ' 87' ' ' ASP . 3.8 m 77.53 -60.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.469 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.731 HG23 ' C ' ' A' ' 85' ' ' THR . 2.8 t 85.02 -13.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.923 ' H ' HG22 ' A' ' 85' ' ' THR . 44.9 t0 -142.69 97.4 3.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.413 1.071 . . . . 0.0 109.423 179.901 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 24.2 t -87.77 54.2 3.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 108.266 -179.935 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.6 t -98.09 -10.84 23.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 1.185 . . . . 0.0 110.469 179.926 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 m -88.77 -54.35 4.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 110.396 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.529 ' HB3' HG23 ' A' ' 40' ' ' VAL . . . -91.15 138.82 31.3 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' ALA . . . -70.78 114.06 8.48 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.346 1.029 . . . . 0.0 109.225 -179.852 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.47 127.61 35.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.409 1.068 . . . . 0.0 108.25 -179.958 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 0.7 OUTLIER -105.82 122.19 45.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.948 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.882 HG22 ' HB3' ' A' ' 36' ' ' GLN . 21.4 t -90.12 119.9 38.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.452 ' O ' H183 ' A' ' 130' ' ' NCZ . . . -171.77 -179.74 42.95 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.86 ' O ' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -104.7 140.48 37.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 0.763 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.0 p -106.78 156.11 19.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.972 -179.958 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.604 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -68.86 161.93 27.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.408 179.973 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.73 -0.53 57.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.91 -37.03 22.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.72 43.84 0.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.4 ' HA ' ' H16' ' A' ' 130' ' ' NCZ . 8.7 m-80 -148.88 145.31 27.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.404 0.708 . . . . 0.0 109.211 -179.975 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.42 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . -138.98 63.38 0.55 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.514 1.134 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.3 Cg_endo -75.16 -24.42 12.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.658 1.873 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.13 141.23 28.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.226 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 152.74 148.39 4.86 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.42 1.075 . . . . 0.0 110.965 179.916 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 0.9 OUTLIER -105.22 143.62 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.352 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.3 98.12 5.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 109.225 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.517 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -92.73 142.38 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.37 1.044 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.736 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER 157.77 -65.5 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.941 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -147.11 132.44 18.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 179.958 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.5 t30 . . . . . 0 C--N 1.323 -0.554 0 O-C-N 124.594 1.184 . . . . 0.0 109.238 -179.868 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.768 ' H14' HD13 ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.492 ' HB1' ' OG1' ' A' ' 6' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.679 ' N ' ' CD ' ' A' ' 3' ' ' PRO . . . -81.44 -41.11 1.07 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 2' ' ' ALA . 18.2 Cg_endo -75.01 124.54 8.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.805 ' HB ' HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER 51.13 176.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.521 1.138 . . . . 0.0 110.488 179.977 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.594 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -86.17 134.54 33.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.163 . . . . 0.0 109.349 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.72 ' C ' HG13 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -134.31 146.68 50.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.386 -179.969 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.643 HG13 HG21 ' A' ' 19' ' ' VAL . 2.8 t -71.25 122.27 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.761 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -34.4 -68.86 0.17 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.426 179.996 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.929 ' HG3' HG11 ' A' ' 19' ' ' VAL . 18.5 Cg_endo -74.81 -152.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 111.052 179.86 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.483 ' OG ' HD23 ' A' ' 13' ' ' LEU . 93.9 p -98.58 -26.96 14.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 1.016 ' HB3' HG21 ' A' ' 69' ' ' VAL . 0.4 OUTLIER 54.39 163.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.084 -179.909 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.28 -39.61 3.05 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.773 HD12 ' N ' ' A' ' 14' ' ' SER . 1.3 pp -62.88 -20.63 65.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 0.727 . . . . 0.0 109.258 179.946 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.773 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -146.82 110.98 5.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.936 -179.928 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.404 ' O ' ' OD2' ' A' ' 15' ' ' ASP . 2.4 p30 -69.45 53.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.329 1.018 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 14' ' ' SER . . . -175.11 24.31 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.372 1.045 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.632 ' HB ' HG12 ' A' ' 69' ' ' VAL . 3.0 m -91.74 105.85 18.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 0.798 . . . . 0.0 110.434 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.433 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 2.4 p -97.43 118.62 44.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.396 179.944 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.929 HG11 ' HG3' ' A' ' 9' ' ' PRO . 14.4 m -144.73 -162.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.229 179.991 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -123.25 142.07 51.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 0.0 109.246 -179.949 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.72 HG13 ' C ' ' A' ' 6' ' ' THR . 8.3 t -112.13 86.82 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.934 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 5' ' ' ALA . . . -87.76 138.99 30.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.6 1.188 . . . . 0.0 109.278 -179.936 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.503 ' O ' ' HA ' ' A' ' 62' ' ' SER . . . -147.47 143.37 11.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.155 . . . . 0.0 111.041 -179.953 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -123.89 103.2 8.2 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.676 0.868 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.79 0.99 7.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.597 1.185 . . . . 0.0 111.054 -179.916 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.805 HD13 ' HB ' ' A' ' 4' ' ' THR . 9.0 tp -77.67 -141.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 0.783 . . . . 0.0 109.279 -179.911 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.968 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.1 mp0 -48.2 90.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.193 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.52 83.99 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 70.22 19.38 75.76 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.415 1.072 . . . . 0.0 111.083 -179.858 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.508 ' CB ' ' HB3' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -91.76 -178.09 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 0.723 . . . . 0.0 110.474 -179.981 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.711 ' HB2' ' OG1' ' A' ' 56' ' ' THR . . . -145.85 100.75 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.185 -179.94 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.635 ' CD2' ' CG ' ' A' ' 27' ' ' GLN . 17.8 m-30 -116.47 171.24 7.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -90.65 119.51 30.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.183 -179.879 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.73 HG21 ' OG1' ' A' ' 65' ' ' THR . 0.5 OUTLIER -80.48 143.59 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.934 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.637 ' CA ' ' HA ' ' A' ' 51' ' ' ASP . . . 170.33 157.5 12.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.395 1.06 . . . . 0.0 110.941 179.931 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.76 ' CG ' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -93.46 91.31 7.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 0.788 . . . . 0.0 110.285 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.684 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 5.5 t -106.2 161.12 14.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 108.26 -179.997 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 37' ' ' CYS . . . 164.38 171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 179.988 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.567 ' CD1' ' HG ' ' A' ' 45' ' ' LEU . 5.8 m-90 -66.39 102.8 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.542 ' CG2' ' N ' ' A' ' 41' ' ' ASP . 2.2 m -88.83 -53.46 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.347 1.029 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.542 ' N ' ' CG2' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -88.61 -165.69 1.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 179.946 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.2 m -68.12 91.51 0.36 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.511 179.916 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.19 15.79 61.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.491 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 19.0 t -97.45 107.92 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.536 0.786 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.786 HD13 ' H14' ' A' ' 130' ' ' NCZ . 0.3 OUTLIER -74.6 101.83 4.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.805 ' CB ' HD23 ' A' ' 77' ' ' LEU . . . -119.2 167.26 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.863 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.597 ' SG ' ' C10' ' A' ' 130' ' ' NCZ . 1.4 m -130.74 144.54 51.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.308 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.633 ' OD1' ' CZ ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -66.3 169.63 6.93 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.911 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.589 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.01 -11.65 21.46 Favored 'Trans proline' 0 C--N 1.362 1.248 0 O-C-N 124.401 1.737 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.55 16.32 24.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.429 1.081 . . . . 0.0 109.24 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.637 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -89.06 8.19 31.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.634 1.209 . . . . 0.0 109.26 -179.946 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.589 ' CZ ' ' HA ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -108.81 90.52 3.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 111.03 -179.968 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.625 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -151.01 85.14 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.94 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 3.7 t -39.52 152.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.706 1.254 . . . . 0.0 110.025 -179.951 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.909 HG21 ' HB ' ' A' ' 65' ' ' THR . 3.4 p -168.59 146.4 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.52 1.138 . . . . 0.0 109.256 -179.917 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.711 ' OG1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -130.45 150.55 51.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.552 179.842 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.968 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -108.72 155.58 20.57 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.402 1.064 . . . . 0.0 109.303 -179.901 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -77.47 156.54 31.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.597 1.185 . . . . 0.0 109.286 179.915 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.75 -26.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.601 1.188 . . . . 0.0 109.322 179.914 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.455 ' N ' ' C ' ' A' ' 58' ' ' ASP . 26.7 t-20 -87.21 33.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 58' ' ' ASP . . . 44.39 35.69 4.0 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.43 1.081 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -90.05 94.73 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 110.066 179.952 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.12 100.58 12.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.959 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 75.3 p -107.83 81.23 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 109.965 -179.933 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.909 ' HB ' HG21 ' A' ' 55' ' ' VAL . 9.7 t -104.73 118.66 37.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -110.61 141.17 44.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.014 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 tp -168.97 -175.25 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.45 HG23 ' HG3' ' A' ' 70' ' ' ARG . 12.4 t -107.49 136.39 47.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.016 HG21 ' HB3' ' A' ' 11' ' ' SER . 3.6 p -89.49 95.43 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.654 1.221 . . . . 0.0 109.26 -179.89 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.683 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 1.2 mtt-85 -95.5 67.1 2.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.1 . . . . 0.0 110.416 179.933 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.574 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 3.2 ttm180 -30.38 -38.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.421 1.076 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -96.35 134.12 39.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.086 179.958 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.709 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER 161.69 130.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 -179.973 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 83' ' ' TRP . 55.5 tt0 -87.28 105.6 17.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.576 1.173 . . . . 0.0 110.342 179.938 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.616 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -96.88 -145.79 19.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.483 ' HA ' ' O ' ' A' ' 81' ' ' THR . 8.2 m-85 -131.83 148.43 52.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.89 HD12 ' HB ' ' A' ' 81' ' ' THR . 1.3 mt -92.34 174.86 7.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.237 179.988 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.463 ' CD1' HG13 ' A' ' 44' ' ' VAL . 2.4 p90 -64.79 -29.23 70.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.54 -43.26 90.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.228 -179.939 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.77 -5.08 4.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.627 1.204 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.89 ' HB ' HD12 ' A' ' 77' ' ' LEU . 1.3 m -65.69 163.41 16.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.459 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -103.59 73.55 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.196 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.69 ' O ' HG22 ' A' ' 86' ' ' VAL . 5.6 t-105 -112.27 -81.78 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 107.968 179.94 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.728 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 55.7 87.08 0.02 OUTLIER Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.574 1.171 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.779 ' C ' HG23 ' A' ' 86' ' ' VAL . 1.0 OUTLIER 48.43 -76.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.401 0.707 . . . . 0.0 110.477 179.986 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.779 HG23 ' C ' ' A' ' 85' ' ' THR . 2.6 t 87.48 -40.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 89' ' ' THR . 4.9 t0 -156.56 81.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.378 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.493 ' CB ' ' HG2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -68.3 60.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.438 1.087 . . . . 0.0 108.355 179.958 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 87' ' ' ASP . 13.9 t -88.01 -8.6 55.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.506 1.129 . . . . 0.0 110.508 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.2 m -150.24 -43.75 0.13 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.34 143.5 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.408 1.068 . . . . 0.0 109.329 179.934 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.14 111.65 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.385 1.053 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.12 128.18 37.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.362 1.039 . . . . 0.0 108.303 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.506 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 26.5 mt-30 -95.43 111.45 23.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.76 HG13 ' CG ' ' A' ' 36' ' ' GLN . 1.5 t -88.6 103.08 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.394 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.476 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -157.48 176.52 34.61 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.379 1.049 . . . . 0.0 111.002 -179.928 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.756 HD13 HG13 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -108.68 123.36 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.627 0.839 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -103.67 148.58 25.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.998 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.579 ' HA ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -41.66 161.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 179.919 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.11 -11.36 58.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.414 ' HB3' ' OD1' ' A' ' 103' ' ' ASN . . . -87.73 -19.13 28.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.487 ' O ' ' H16' ' A' ' 130' ' ' NCZ . . . 87.65 45.97 5.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.616 1.198 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.414 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -138.17 144.07 40.55 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 0.738 . . . . 0.0 109.317 -179.936 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.19 112.4 3.1 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.579 1.174 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 59.03 5.13 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.434 1.755 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.681 ' O ' H181 ' A' ' 130' ' ' NCZ . 0.2 OUTLIER -89.77 145.69 25.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.068 . . . . 0.0 110.228 -179.999 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.476 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . 131.64 156.38 8.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.434 1.084 . . . . 0.0 111.056 -179.996 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.809 HG13 HD12 ' A' ' 110' ' ' ILE . 1.0 OUTLIER -102.31 143.26 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.375 0.691 . . . . 0.0 109.338 -179.974 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.39 95.96 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.809 HD12 HG13 ' A' ' 108' ' ' VAL . 1.1 mp -78.88 159.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 109.246 -179.993 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.483 ' O ' ' O ' ' A' ' 11' ' ' SER . 0.4 OUTLIER 163.77 -78.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 110.011 -179.872 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -163.63 141.12 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 111.043 179.901 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.45 ' N ' ' CB ' ' A' ' 10' ' ' SER . 17.2 p30 . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 109.398 -179.937 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 130' ' ' NCZ . . . . . 0.786 ' H14' HD13 ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_